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chroman 1

CAS No.:
1273579-40-0
Catalog Number:
AG009CAI
Molecular Formula:
C24H28N4O4
Molecular Weight:
436.5035
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
5mg
99%
1 week
United States
$533
- +
10mg
99%
1 week
United States
$998
- +
Product Description
Catalog Number:
AG009CAI
Chemical Name:
chroman 1
CAS Number:
1273579-40-0
Molecular Formula:
C24H28N4O4
Molecular Weight:
436.5035
MDL Number:
MFCD23098792
IUPAC Name:
(3S)-N-[2-[2-(dimethylamino)ethoxy]-4-(1H-pyrazol-4-yl)phenyl]-6-methoxy-3,4-dihydro-2H-chromene-3-carboxamide
InChI:
InChI=1S/C24H28N4O4/c1-28(2)8-9-31-23-12-16(19-13-25-26-14-19)4-6-21(23)27-24(29)18-10-17-11-20(30-3)5-7-22(17)32-15-18/h4-7,11-14,18H,8-10,15H2,1-3H3,(H,25,26)(H,27,29)/t18-/m0/s1
InChI Key:
ROFMCPHQNWGXGE-SFHVURJKSA-N
SMILES:
COc1ccc2c(c1)CC(CO2)C(=O)Nc1ccc(cc1OCCN(C)C)c1c[nH]nc1
Properties
Complexity:
607  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
1  
Defined Bond Stereocenter Count:
0
Exact Mass:
436.211g/mol
Formal Charge:
0
Heavy Atom Count:
32  
Hydrogen Bond Acceptor Count:
6  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
436.512g/mol
Monoisotopic Mass:
436.211g/mol
Rotatable Bond Count:
8  
Topological Polar Surface Area:
88.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.7  
Properties