4-(azepane-1-carbonyl)-1,2,5-trimethyl-N-[(4-methylphenyl)methyl]-1H-pyrrole-3-sulfonamide
Chemical Structure Depiction of
4-(azepane-1-carbonyl)-1,2,5-trimethyl-N-[(4-methylphenyl)methyl]-1H-pyrrole-3-sulfonamide
4-(azepane-1-carbonyl)-1,2,5-trimethyl-N-[(4-methylphenyl)methyl]-1H-pyrrole-3-sulfonamide
Compound characteristics
| Compound ID: | G243-1684 |
| Compound Name: | 4-(azepane-1-carbonyl)-1,2,5-trimethyl-N-[(4-methylphenyl)methyl]-1H-pyrrole-3-sulfonamide |
| Molecular Weight: | 417.57 |
| Molecular Formula: | C22 H31 N3 O3 S |
| Smiles: | Cc1ccc(CNS(c2c(C(N3CCCCCC3)=O)c(C)n(C)c2C)(=O)=O)cc1 |
| Stereo: | ACHIRAL |
| logP: | 3.0125 |
| logD: | 3.0093 |
| logSw: | -3.4496 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 61.755 |
| InChI Key: | PDAZYVVSSDBBKW-UHFFFAOYSA-N |