4-(azepane-1-sulfonyl)-3,5-dimethyl-N-[(4-methylphenyl)methyl]-1H-pyrrole-2-carboxamide
Chemical Structure Depiction of
4-(azepane-1-sulfonyl)-3,5-dimethyl-N-[(4-methylphenyl)methyl]-1H-pyrrole-2-carboxamide
4-(azepane-1-sulfonyl)-3,5-dimethyl-N-[(4-methylphenyl)methyl]-1H-pyrrole-2-carboxamide
Compound characteristics
| Compound ID: | F379-1641 |
| Compound Name: | 4-(azepane-1-sulfonyl)-3,5-dimethyl-N-[(4-methylphenyl)methyl]-1H-pyrrole-2-carboxamide |
| Molecular Weight: | 403.54 |
| Molecular Formula: | C21 H29 N3 O3 S |
| Smiles: | Cc1ccc(CNC(c2c(C)c(c(C)[nH]2)S(N2CCCCCC2)(=O)=O)=O)cc1 |
| Stereo: | ACHIRAL |
| logP: | 3.3792 |
| logD: | 3.3792 |
| logSw: | -3.6221 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 67.675 |
| InChI Key: | VAVFNGPTBZYPKR-UHFFFAOYSA-N |