N-benzyl-N~2~-(4-chloro-3-nitrobenzene-1-sulfonyl)-N-[(6-methyl-4-oxo-4H-1-benzopyran-3-yl)methyl]-N~2~-[(oxolan-2-yl)methyl]glycinamide
Chemical Structure Depiction of
N-benzyl-N~2~-(4-chloro-3-nitrobenzene-1-sulfonyl)-N-[(6-methyl-4-oxo-4H-1-benzopyran-3-yl)methyl]-N~2~-[(oxolan-2-yl)methyl]glycinamide
N-benzyl-N~2~-(4-chloro-3-nitrobenzene-1-sulfonyl)-N-[(6-methyl-4-oxo-4H-1-benzopyran-3-yl)methyl]-N~2~-[(oxolan-2-yl)methyl]glycinamide
Compound characteristics
| Compound ID: | V002-3231 |
| Compound Name: | N-benzyl-N~2~-(4-chloro-3-nitrobenzene-1-sulfonyl)-N-[(6-methyl-4-oxo-4H-1-benzopyran-3-yl)methyl]-N~2~-[(oxolan-2-yl)methyl]glycinamide |
| Molecular Weight: | 640.11 |
| Molecular Formula: | C31 H30 Cl N3 O8 S |
| Smiles: | Cc1ccc2c(c1)C(C(CN(Cc1ccccc1)C(CN(CC1CCCO1)S(c1ccc(c(c1)[N+]([O-])=O)[Cl])(=O)=O)=O)=CO2)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.3518 |
| logD: | 4.3518 |
| logSw: | -4.6477 |
| Hydrogen bond acceptors count: | 15 |
| Polar surface area: | 109.654 |
| InChI Key: | RJBYKVBFJAEFPN-XMMPIXPASA-N |