N-[(4-methylphenyl)methyl]-4-nitro-N-[3-(2-oxo-2-{[2-(pyrrolidin-1-yl)ethyl]amino}ethyl)phenyl]benzamide
Chemical Structure Depiction of
N-[(4-methylphenyl)methyl]-4-nitro-N-[3-(2-oxo-2-{[2-(pyrrolidin-1-yl)ethyl]amino}ethyl)phenyl]benzamide
N-[(4-methylphenyl)methyl]-4-nitro-N-[3-(2-oxo-2-{[2-(pyrrolidin-1-yl)ethyl]amino}ethyl)phenyl]benzamide
Compound characteristics
| Compound ID: | V013-8938 |
| Compound Name: | N-[(4-methylphenyl)methyl]-4-nitro-N-[3-(2-oxo-2-{[2-(pyrrolidin-1-yl)ethyl]amino}ethyl)phenyl]benzamide |
| Molecular Weight: | 500.6 |
| Molecular Formula: | C29 H32 N4 O4 |
| Salt: | not_available |
| Smiles: | Cc1ccc(CN(C(c2ccc(cc2)[N+]([O-])=O)=O)c2cccc(CC(NCCN3CCCC3)=O)c2)cc1 |
| Stereo: | ACHIRAL |
| logP: | 4.1445 |
| logD: | 1.9192 |
| logSw: | -4.1628 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 77.361 |
| InChI Key: | DSLSDKKZFNAGEJ-UHFFFAOYSA-N |