N-[2-(azepane-1-carbonyl)-1-benzothiophen-5-yl]-4-chloro-N-methylbenzene-1-sulfonamide
Chemical Structure Depiction of
N-[2-(azepane-1-carbonyl)-1-benzothiophen-5-yl]-4-chloro-N-methylbenzene-1-sulfonamide
N-[2-(azepane-1-carbonyl)-1-benzothiophen-5-yl]-4-chloro-N-methylbenzene-1-sulfonamide
Compound characteristics
| Compound ID: | J019-0502 |
| Compound Name: | N-[2-(azepane-1-carbonyl)-1-benzothiophen-5-yl]-4-chloro-N-methylbenzene-1-sulfonamide |
| Molecular Weight: | 463.02 |
| Molecular Formula: | C22 H23 Cl N2 O3 S2 |
| Smiles: | CN(c1ccc2c(c1)cc(C(N1CCCCCC1)=O)s2)S(c1ccc(cc1)[Cl])(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 5.7948 |
| logD: | 5.7948 |
| logSw: | -5.9353 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 50.786 |
| InChI Key: | BAGQIRYWQQIWCP-UHFFFAOYSA-N |