N-butyl-N-{2-[({1-[(2-chlorophenyl)methyl]-1H-pyrrol-2-yl}methyl)(2-methylpropyl)amino]-2-oxoethyl}-4-nitrobenzamide
Chemical Structure Depiction of
N-butyl-N-{2-[({1-[(2-chlorophenyl)methyl]-1H-pyrrol-2-yl}methyl)(2-methylpropyl)amino]-2-oxoethyl}-4-nitrobenzamide
N-butyl-N-{2-[({1-[(2-chlorophenyl)methyl]-1H-pyrrol-2-yl}methyl)(2-methylpropyl)amino]-2-oxoethyl}-4-nitrobenzamide
Compound characteristics
| Compound ID: | V018-0905 |
| Compound Name: | N-butyl-N-{2-[({1-[(2-chlorophenyl)methyl]-1H-pyrrol-2-yl}methyl)(2-methylpropyl)amino]-2-oxoethyl}-4-nitrobenzamide |
| Molecular Weight: | 539.07 |
| Molecular Formula: | C29 H35 Cl N4 O4 |
| Smiles: | CCCCN(CC(N(CC(C)C)Cc1cccn1Cc1ccccc1[Cl])=O)C(c1ccc(cc1)[N+]([O-])=O)=O |
| Stereo: | ACHIRAL |
| logP: | 5.965 |
| logD: | 5.965 |
| logSw: | -5.9682 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 67.835 |
| InChI Key: | HWPZVQOOPPUZNH-UHFFFAOYSA-N |