1-[4-(4-chlorobenzene-1-sulfonyl)-2-(ethanesulfonyl)-1,3-thiazol-5-yl]azepane
Chemical Structure Depiction of
1-[4-(4-chlorobenzene-1-sulfonyl)-2-(ethanesulfonyl)-1,3-thiazol-5-yl]azepane
1-[4-(4-chlorobenzene-1-sulfonyl)-2-(ethanesulfonyl)-1,3-thiazol-5-yl]azepane
Compound characteristics
| Compound ID: | C848-0308 |
| Compound Name: | 1-[4-(4-chlorobenzene-1-sulfonyl)-2-(ethanesulfonyl)-1,3-thiazol-5-yl]azepane |
| Molecular Weight: | 449.01 |
| Molecular Formula: | C17 H21 Cl N2 O4 S3 |
| Smiles: | CCS(c1nc(c(N2CCCCCC2)s1)S(c1ccc(cc1)[Cl])(=O)=O)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.5163 |
| logD: | 4.5163 |
| logSw: | -4.58 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 72.935 |
| InChI Key: | JAGQOWDHERAPOW-UHFFFAOYSA-N |