4-(azepane-1-carbonyl)-N-(3-chloro-4-methoxyphenyl)-1,2,5-trimethyl-1H-pyrrole-3-sulfonamide
Chemical Structure Depiction of
4-(azepane-1-carbonyl)-N-(3-chloro-4-methoxyphenyl)-1,2,5-trimethyl-1H-pyrrole-3-sulfonamide
4-(azepane-1-carbonyl)-N-(3-chloro-4-methoxyphenyl)-1,2,5-trimethyl-1H-pyrrole-3-sulfonamide
Compound characteristics
| Compound ID: | G243-1778 |
| Compound Name: | 4-(azepane-1-carbonyl)-N-(3-chloro-4-methoxyphenyl)-1,2,5-trimethyl-1H-pyrrole-3-sulfonamide |
| Molecular Weight: | 453.99 |
| Molecular Formula: | C21 H28 Cl N3 O4 S |
| Smiles: | Cc1c(C(N2CCCCCC2)=O)c(c(C)n1C)S(Nc1ccc(c(c1)[Cl])OC)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.3521 |
| logD: | 2.4344 |
| logSw: | -4.0174 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 68.277 |
| InChI Key: | XQSMOUNQQZZPBH-UHFFFAOYSA-N |