N-(2-{benzyl[(6-methyl-4-oxo-4H-1-benzopyran-3-yl)methyl]amino}-2-oxoethyl)-2-chloro-4-nitro-N-[(oxolan-2-yl)methyl]benzamide
Chemical Structure Depiction of
N-(2-{benzyl[(6-methyl-4-oxo-4H-1-benzopyran-3-yl)methyl]amino}-2-oxoethyl)-2-chloro-4-nitro-N-[(oxolan-2-yl)methyl]benzamide
N-(2-{benzyl[(6-methyl-4-oxo-4H-1-benzopyran-3-yl)methyl]amino}-2-oxoethyl)-2-chloro-4-nitro-N-[(oxolan-2-yl)methyl]benzamide
Compound characteristics
| Compound ID: | V002-3216 |
| Compound Name: | N-(2-{benzyl[(6-methyl-4-oxo-4H-1-benzopyran-3-yl)methyl]amino}-2-oxoethyl)-2-chloro-4-nitro-N-[(oxolan-2-yl)methyl]benzamide |
| Molecular Weight: | 604.06 |
| Molecular Formula: | C32 H30 Cl N3 O7 |
| Smiles: | Cc1ccc2c(c1)C(C(CN(Cc1ccccc1)C(CN(CC1CCCO1)C(c1ccc(cc1[Cl])[N+]([O-])=O)=O)=O)=CO2)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.1076 |
| logD: | 4.1076 |
| logSw: | -4.6316 |
| Hydrogen bond acceptors count: | 12 |
| Polar surface area: | 94.791 |
| InChI Key: | KZSFOWKOFGPYRR-RUZDIDTESA-N |