Home Other Building Blocks (S)-3-Benzyl-N-(5-methyl-4-oxo-2,3,4,5-tetrahydrobenzo[b][1,4]oxazepin-3-yl)-1H-1,2,4-triazole-5-carboxamide

(S)-3-Benzyl-N-(5-methyl-4-oxo-2,3,4,5-tetrahydrobenzo[b][1,4]oxazepin-3-yl)-1H-1,2,4-triazole-5-carboxamide

CAS No.:
1622848-92-3
Catalog Number:
AG00AQYH
Molecular Formula:
C20H19N5O3
Molecular Weight:
377.3966
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1mg
95%
1 week
United States
$168
- +
5mg
95%
1 week
United States
$307
- +
10mg
95%
1 week
United States
$446
- +
50mg
95%
1 week
United States
$1223
- +
100mg
95%
1 week
United States
$1793
- +
Product Description
Catalog Number:
AG00AQYH
Chemical Name:
(S)-3-Benzyl-N-(5-methyl-4-oxo-2,3,4,5-tetrahydrobenzo[b][1,4]oxazepin-3-yl)-1H-1,2,4-triazole-5-carboxamide
CAS Number:
1622848-92-3
Molecular Formula:
C20H19N5O3
Molecular Weight:
377.3966
MDL Number:
MFCD30489467
IUPAC Name:
5-benzyl-N-[(3S)-5-methyl-4-oxo-2,3-dihydro-1,5-benzoxazepin-3-yl]-1H-1,2,4-triazole-3-carboxamide
InChI:
InChI=1S/C20H19N5O3/c1-25-15-9-5-6-10-16(15)28-12-14(20(25)27)21-19(26)18-22-17(23-24-18)11-13-7-3-2-4-8-13/h2-10,14H,11-12H2,1H3,(H,21,26)(H,22,23,24)/t14-/m0/s1
InChI Key:
LYPAFUINURXJSG-AWEZNQCLSA-N
SMILES:
O=C(c1[nH]nc(n1)Cc1ccccc1)N[C@H]1COc2c(N(C1=O)C)cccc2
UNII:
T5W3M0VO9B
Properties
Complexity:
568  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
1  
Defined Bond Stereocenter Count:
0
Exact Mass:
377.149g/mol
Formal Charge:
0
Heavy Atom Count:
28  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
377.404g/mol
Monoisotopic Mass:
377.149g/mol
Rotatable Bond Count:
4  
Topological Polar Surface Area:
100A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.4  
Literature
Title Journal
Discovery of a First-in-Class Receptor Interacting Protein 1 (RIP1) Kinase Specific Clinical Candidate (GSK2982772) for the Treatment of Inflammatory Diseases. Journal of medicinal chemistry 20170223
Properties