4-(azepane-1-carbonyl)-N-[(2-methoxyphenyl)methyl]-1,2,5-trimethyl-1H-pyrrole-3-sulfonamide
Chemical Structure Depiction of
4-(azepane-1-carbonyl)-N-[(2-methoxyphenyl)methyl]-1,2,5-trimethyl-1H-pyrrole-3-sulfonamide
4-(azepane-1-carbonyl)-N-[(2-methoxyphenyl)methyl]-1,2,5-trimethyl-1H-pyrrole-3-sulfonamide
Compound characteristics
| Compound ID: | G243-1751 |
| Compound Name: | 4-(azepane-1-carbonyl)-N-[(2-methoxyphenyl)methyl]-1,2,5-trimethyl-1H-pyrrole-3-sulfonamide |
| Molecular Weight: | 433.57 |
| Molecular Formula: | C22 H31 N3 O4 S |
| Smiles: | Cc1c(C(N2CCCCCC2)=O)c(c(C)n1C)S(NCc1ccccc1OC)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.7567 |
| logD: | 2.7535 |
| logSw: | -3.3631 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 69.385 |
| InChI Key: | CTPWEXUWWSFVIX-UHFFFAOYSA-N |