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247567-47-1 | Benzamide, N-[(3,4-dimethoxyphenyl)methyl]-2-[[(1S)-2-hydroxy-1-methylethyl]amino]-5-nitro-
CAS No: 247567-47-1 Catalog No: AG002PC1 MDL No:
Product Description
Catalog Number:
AG002PC1
Chemical Name:
Benzamide, N-[(3,4-dimethoxyphenyl)methyl]-2-[[(1S)-2-hydroxy-1-methylethyl]amino]-5-nitro-
CAS Number:
247567-47-1
Molecular Formula:
C19H23N3O6
Molecular Weight:
389.4024
IUPAC Name:
N-[(3,4-dimethoxyphenyl)methyl]-2-[[(2S)-1-hydroxypropan-2-yl]amino]-5-nitrobenzamide
InChI:
InChI=1S/C19H23N3O6/c1-12(11-23)21-16-6-5-14(22(25)26)9-15(16)19(24)20-10-13-4-7-17(27-2)18(8-13)28-3/h4-9,12,21,23H,10-11H2,1-3H3,(H,20,24)/t12-/m0/s1
InChI Key:
ZISFCTXLAXIEMV-LBPRGKRZSA-N
SMILES:
OC[C@@H](Nc1ccc(cc1C(=O)NCc1ccc(c(c1)OC)OC)[N+](=O)[O-])C
Properties
Complexity:
514
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
389.159g/mol
Formal Charge:
0
Heavy Atom Count:
28
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
389.408g/mol
Monoisotopic Mass:
389.159g/mol
Rotatable Bond Count:
8
Topological Polar Surface Area:
126A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.7
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