N-[(4-methylphenyl)methyl]-4-nitro-N-{3-[2-oxo-2-(propylamino)ethyl]phenyl}benzamide
Chemical Structure Depiction of
N-[(4-methylphenyl)methyl]-4-nitro-N-{3-[2-oxo-2-(propylamino)ethyl]phenyl}benzamide
N-[(4-methylphenyl)methyl]-4-nitro-N-{3-[2-oxo-2-(propylamino)ethyl]phenyl}benzamide
Compound characteristics
| Compound ID: | V013-8939 |
| Compound Name: | N-[(4-methylphenyl)methyl]-4-nitro-N-{3-[2-oxo-2-(propylamino)ethyl]phenyl}benzamide |
| Molecular Weight: | 445.52 |
| Molecular Formula: | C26 H27 N3 O4 |
| Smiles: | CCCNC(Cc1cccc(c1)N(Cc1ccc(C)cc1)C(c1ccc(cc1)[N+]([O-])=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.5554 |
| logD: | 4.5554 |
| logSw: | -4.3539 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 73.284 |
| InChI Key: | JPQROPSYODEOMB-UHFFFAOYSA-N |