N-[(4-methylphenyl)methyl]-N-(3-{2-[(2-methylpropyl)amino]-2-oxoethyl}phenyl)-4-nitrobenzamide
Chemical Structure Depiction of
N-[(4-methylphenyl)methyl]-N-(3-{2-[(2-methylpropyl)amino]-2-oxoethyl}phenyl)-4-nitrobenzamide
N-[(4-methylphenyl)methyl]-N-(3-{2-[(2-methylpropyl)amino]-2-oxoethyl}phenyl)-4-nitrobenzamide
Compound characteristics
| Compound ID: | V013-8962 |
| Compound Name: | N-[(4-methylphenyl)methyl]-N-(3-{2-[(2-methylpropyl)amino]-2-oxoethyl}phenyl)-4-nitrobenzamide |
| Molecular Weight: | 459.54 |
| Molecular Formula: | C27 H29 N3 O4 |
| Smiles: | CC(C)CNC(Cc1cccc(c1)N(Cc1ccc(C)cc1)C(c1ccc(cc1)[N+]([O-])=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.9786 |
| logD: | 4.9786 |
| logSw: | -4.6068 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 73.442 |
| InChI Key: | BSYVHEXHSMMHLR-UHFFFAOYSA-N |