N-(butan-2-yl)-2-chloro-N-(2-{(2-methylpropyl)[(1-methyl-1H-pyrrol-2-yl)methyl]amino}-2-oxoethyl)-4-nitrobenzamide
Chemical Structure Depiction of
N-(butan-2-yl)-2-chloro-N-(2-{(2-methylpropyl)[(1-methyl-1H-pyrrol-2-yl)methyl]amino}-2-oxoethyl)-4-nitrobenzamide
N-(butan-2-yl)-2-chloro-N-(2-{(2-methylpropyl)[(1-methyl-1H-pyrrol-2-yl)methyl]amino}-2-oxoethyl)-4-nitrobenzamide
Compound characteristics
| Compound ID: | V017-2742 |
| Compound Name: | N-(butan-2-yl)-2-chloro-N-(2-{(2-methylpropyl)[(1-methyl-1H-pyrrol-2-yl)methyl]amino}-2-oxoethyl)-4-nitrobenzamide |
| Molecular Weight: | 462.98 |
| Molecular Formula: | C23 H31 Cl N4 O4 |
| Smiles: | CCC(C)N(CC(N(CC(C)C)Cc1cccn1C)=O)C(c1ccc(cc1[Cl])[N+]([O-])=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.5818 |
| logD: | 4.5818 |
| logSw: | -4.8863 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 68.012 |
| InChI Key: | YZYSFSMJWCJHFM-KRWDZBQOSA-N |