2-[4-(4-chlorobenzene-1-sulfonyl)-2-(ethanesulfonyl)-1,3-thiazol-5-yl]-1,2,3,4-tetrahydroisoquinoline
Chemical Structure Depiction of
2-[4-(4-chlorobenzene-1-sulfonyl)-2-(ethanesulfonyl)-1,3-thiazol-5-yl]-1,2,3,4-tetrahydroisoquinoline
2-[4-(4-chlorobenzene-1-sulfonyl)-2-(ethanesulfonyl)-1,3-thiazol-5-yl]-1,2,3,4-tetrahydroisoquinoline
Compound characteristics
| Compound ID: | C848-0334 |
| Compound Name: | 2-[4-(4-chlorobenzene-1-sulfonyl)-2-(ethanesulfonyl)-1,3-thiazol-5-yl]-1,2,3,4-tetrahydroisoquinoline |
| Molecular Weight: | 483.03 |
| Molecular Formula: | C20 H19 Cl N2 O4 S3 |
| Smiles: | CCS(c1nc(c(N2CCc3ccccc3C2)s1)S(c1ccc(cc1)[Cl])(=O)=O)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.8247 |
| logD: | 4.8247 |
| logSw: | -4.8202 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 72.266 |
| InChI Key: | XWBNXNPYMCYTKF-UHFFFAOYSA-N |