N-{2-[(butan-2-yl)({1-[(3-methoxyphenyl)methyl]-1H-pyrrol-2-yl}methyl)amino]-2-oxoethyl}-4-methyl-N-(3-methylbutyl)-3-nitrobenzamide
Chemical Structure Depiction of
N-{2-[(butan-2-yl)({1-[(3-methoxyphenyl)methyl]-1H-pyrrol-2-yl}methyl)amino]-2-oxoethyl}-4-methyl-N-(3-methylbutyl)-3-nitrobenzamide
N-{2-[(butan-2-yl)({1-[(3-methoxyphenyl)methyl]-1H-pyrrol-2-yl}methyl)amino]-2-oxoethyl}-4-methyl-N-(3-methylbutyl)-3-nitrobenzamide
Compound characteristics
| Compound ID: | V010-0958 |
| Compound Name: | N-{2-[(butan-2-yl)({1-[(3-methoxyphenyl)methyl]-1H-pyrrol-2-yl}methyl)amino]-2-oxoethyl}-4-methyl-N-(3-methylbutyl)-3-nitrobenzamide |
| Molecular Weight: | 562.71 |
| Molecular Formula: | C32 H42 N4 O5 |
| Smiles: | CCC(C)N(Cc1cccn1Cc1cccc(c1)OC)C(CN(CCC(C)C)C(c1ccc(C)c(c1)[N+]([O-])=O)=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 6.1068 |
| logD: | 6.1068 |
| logSw: | -5.4815 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 74.406 |
| InChI Key: | MQBGXVXNBHTQEG-VWLOTQADSA-N |