1-[2-(methanesulfonyl)-4-(4-methylbenzene-1-sulfonyl)-1,3-thiazol-5-yl]azepane
Chemical Structure Depiction of
1-[2-(methanesulfonyl)-4-(4-methylbenzene-1-sulfonyl)-1,3-thiazol-5-yl]azepane
1-[2-(methanesulfonyl)-4-(4-methylbenzene-1-sulfonyl)-1,3-thiazol-5-yl]azepane
Compound characteristics
| Compound ID: | C848-0014 |
| Compound Name: | 1-[2-(methanesulfonyl)-4-(4-methylbenzene-1-sulfonyl)-1,3-thiazol-5-yl]azepane |
| Molecular Weight: | 414.56 |
| Molecular Formula: | C17 H22 N2 O4 S3 |
| Smiles: | Cc1ccc(cc1)S(c1c(N2CCCCCC2)sc(n1)S(C)(=O)=O)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.6944 |
| logD: | 3.6944 |
| logSw: | -3.7245 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 73.648 |
| InChI Key: | NFCKXFSQURHBSA-UHFFFAOYSA-N |