N-[(4-methylphenyl)methyl]-4-nitro-N-[3-(2-oxo-2-{[2-(pyridin-2-yl)ethyl]amino}ethyl)phenyl]benzamide
Chemical Structure Depiction of
N-[(4-methylphenyl)methyl]-4-nitro-N-[3-(2-oxo-2-{[2-(pyridin-2-yl)ethyl]amino}ethyl)phenyl]benzamide
N-[(4-methylphenyl)methyl]-4-nitro-N-[3-(2-oxo-2-{[2-(pyridin-2-yl)ethyl]amino}ethyl)phenyl]benzamide
Compound characteristics
| Compound ID: | V013-8950 |
| Compound Name: | N-[(4-methylphenyl)methyl]-4-nitro-N-[3-(2-oxo-2-{[2-(pyridin-2-yl)ethyl]amino}ethyl)phenyl]benzamide |
| Molecular Weight: | 508.58 |
| Molecular Formula: | C30 H28 N4 O4 |
| Salt: | not_available |
| Smiles: | Cc1ccc(CN(C(c2ccc(cc2)[N+]([O-])=O)=O)c2cccc(CC(NCCc3ccccn3)=O)c2)cc1 |
| Stereo: | ACHIRAL |
| logP: | 4.3551 |
| logD: | 4.3503 |
| logSw: | -4.3996 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 82.555 |
| InChI Key: | JFIRMUDVWQRUMZ-UHFFFAOYSA-N |