4-(azepane-1-carbonyl)-N-[(2,5-dimethoxyphenyl)methyl]thiophene-2-sulfonamide
Chemical Structure Depiction of
4-(azepane-1-carbonyl)-N-[(2,5-dimethoxyphenyl)methyl]thiophene-2-sulfonamide
4-(azepane-1-carbonyl)-N-[(2,5-dimethoxyphenyl)methyl]thiophene-2-sulfonamide
Compound characteristics
| Compound ID: | F540-1856 |
| Compound Name: | 4-(azepane-1-carbonyl)-N-[(2,5-dimethoxyphenyl)methyl]thiophene-2-sulfonamide |
| Molecular Weight: | 438.56 |
| Molecular Formula: | C20 H26 N2 O5 S2 |
| Smiles: | COc1ccc(c(CNS(c2cc(cs2)C(N2CCCCCC2)=O)(=O)=O)c1)OC |
| Stereo: | ACHIRAL |
| logP: | 3.3368 |
| logD: | 3.335 |
| logSw: | -3.6787 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 75.169 |
| InChI Key: | YECMXXSCTSEHEV-UHFFFAOYSA-N |