Home Halogens 2-[8-Chloro-6-(4-chloro-phenyl)-1-Methyl-4H-3-oxa-2,5-diaza-benzo[e]azulen-4-yl]-acetaMide

2-[8-Chloro-6-(4-chloro-phenyl)-1-Methyl-4H-3-oxa-2,5-diaza-benzo[e]azulen-4-yl]-acetaMide

CAS No.:
1505453-59-7
Catalog Number:
AG00AO1B
Molecular Formula:
C24H20ClN5O2
Molecular Weight:
445.9009
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
5mg
99%
1 week
United States
$257
- +
10mg
99%
1 week
United States
$390
- +
25mg
99%
1 week
United States
$740
- +
50mg
99%
1 week
United States
$1223
- +
100mg
99%
1 week
United States
$2057
- +
Product Description
Catalog Number:
AG00AO1B
Chemical Name:
2-[8-Chloro-6-(4-chloro-phenyl)-1-Methyl-4H-3-oxa-2,5-diaza-benzo[e]azulen-4-yl]-acetaMide
CAS Number:
1505453-59-7
Molecular Formula:
C24H20ClN5O2
Molecular Weight:
445.9009
MDL Number:
MFCD28144506
IUPAC Name:
2-[(4S)-6-(4-chlorophenyl)-1-methyl-8-(1-methylpyrazol-4-yl)-4H-[1,2]oxazolo[5,4-d][2]benzazepin-4-yl]acetamide
InChI:
InChI=1S/C24H20ClN5O2/c1-13-22-18-8-5-15(16-11-27-30(2)12-16)9-19(18)23(14-3-6-17(25)7-4-14)28-20(10-21(26)31)24(22)32-29-13/h3-9,11-12,20H,10H2,1-2H3,(H2,26,31)/t20-/m0/s1
InChI Key:
QFLGNZXBWIQDLQ-FQEVSTJZSA-N
SMILES:
NC(=O)C[C@@H]1N=C(c2ccc(cc2)Cl)c2c(c3c1onc3C)ccc(c2)c1cnn(c1)C
Properties
Complexity:
727  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
1  
Defined Bond Stereocenter Count:
0
Exact Mass:
445.131g/mol
Formal Charge:
0
Heavy Atom Count:
32  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
445.907g/mol
Monoisotopic Mass:
445.131g/mol
Rotatable Bond Count:
4  
Topological Polar Surface Area:
99.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3  
Properties