N-({1-[(3-methylphenyl)methyl]-1H-pyrrol-2-yl}methyl)-4-nitro-N-pentylbenzamide
Chemical Structure Depiction of
N-({1-[(3-methylphenyl)methyl]-1H-pyrrol-2-yl}methyl)-4-nitro-N-pentylbenzamide
N-({1-[(3-methylphenyl)methyl]-1H-pyrrol-2-yl}methyl)-4-nitro-N-pentylbenzamide
Compound characteristics
| Compound ID: | V015-0278 |
| Compound Name: | N-({1-[(3-methylphenyl)methyl]-1H-pyrrol-2-yl}methyl)-4-nitro-N-pentylbenzamide |
| Molecular Weight: | 419.52 |
| Molecular Formula: | C25 H29 N3 O3 |
| Smiles: | CCCCCN(Cc1cccn1Cc1cccc(C)c1)C(c1ccc(cc1)[N+]([O-])=O)=O |
| Stereo: | ACHIRAL |
| logP: | 6.068 |
| logD: | 6.068 |
| logSw: | -5.1915 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 51.88 |
| InChI Key: | NXIMKXJZDYGVIX-UHFFFAOYSA-N |