2-{4-[2-(ethanesulfonyl)-4-(4-methylbenzene-1-sulfonyl)-1,3-thiazol-5-yl]piperazin-1-yl}ethan-1-ol
Chemical Structure Depiction of
2-{4-[2-(ethanesulfonyl)-4-(4-methylbenzene-1-sulfonyl)-1,3-thiazol-5-yl]piperazin-1-yl}ethan-1-ol
2-{4-[2-(ethanesulfonyl)-4-(4-methylbenzene-1-sulfonyl)-1,3-thiazol-5-yl]piperazin-1-yl}ethan-1-ol
Compound characteristics
Compound ID: | C848-0227 |
Compound Name: | 2-{4-[2-(ethanesulfonyl)-4-(4-methylbenzene-1-sulfonyl)-1,3-thiazol-5-yl]piperazin-1-yl}ethan-1-ol |
Molecular Weight: | 459.6 |
Molecular Formula: | C18 H25 N3 O5 S3 |
Smiles: | CCS(c1nc(c(N2CCN(CC2)CCO)s1)S(c1ccc(C)cc1)(=O)=O)(=O)=O |
Stereo: | ACHIRAL |
logP: | 2.2088 |
logD: | 2.0776 |
logSw: | -2.4425 |
Hydrogen bond acceptors count: | 11 |
Hydrogen bond donors count: | 1 |
Polar surface area: | 93.05 |
InChI Key: | ZQJXVKQHFJILLS-UHFFFAOYSA-N |