2-[2-(ethanesulfonyl)-4-(4-methylbenzene-1-sulfonyl)-1,3-thiazol-5-yl]-1,2,3,4-tetrahydroisoquinoline
Chemical Structure Depiction of
2-[2-(ethanesulfonyl)-4-(4-methylbenzene-1-sulfonyl)-1,3-thiazol-5-yl]-1,2,3,4-tetrahydroisoquinoline
2-[2-(ethanesulfonyl)-4-(4-methylbenzene-1-sulfonyl)-1,3-thiazol-5-yl]-1,2,3,4-tetrahydroisoquinoline
Compound characteristics
| Compound ID: | C848-0236 |
| Compound Name: | 2-[2-(ethanesulfonyl)-4-(4-methylbenzene-1-sulfonyl)-1,3-thiazol-5-yl]-1,2,3,4-tetrahydroisoquinoline |
| Molecular Weight: | 462.61 |
| Molecular Formula: | C21 H22 N2 O4 S3 |
| Smiles: | CCS(c1nc(c(N2CCc3ccccc3C2)s1)S(c1ccc(C)cc1)(=O)=O)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.6534 |
| logD: | 4.6534 |
| logSw: | -4.2921 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 72.266 |
| InChI Key: | MIBJPTRLYFOIHK-UHFFFAOYSA-N |