N-[2-(ethanesulfonyl)-1,3-benzothiazol-6-yl]-5,6,7,8-tetrahydronaphthalene-2-sulfonamide
Chemical Structure Depiction of
N-[2-(ethanesulfonyl)-1,3-benzothiazol-6-yl]-5,6,7,8-tetrahydronaphthalene-2-sulfonamide
N-[2-(ethanesulfonyl)-1,3-benzothiazol-6-yl]-5,6,7,8-tetrahydronaphthalene-2-sulfonamide
Compound characteristics
Compound ID: | M071-0081 |
Compound Name: | N-[2-(ethanesulfonyl)-1,3-benzothiazol-6-yl]-5,6,7,8-tetrahydronaphthalene-2-sulfonamide |
Molecular Weight: | 436.57 |
Molecular Formula: | C19 H20 N2 O4 S3 |
Smiles: | CCS(c1nc2ccc(cc2s1)NS(c1ccc2CCCCc2c1)(=O)=O)(=O)=O |
Stereo: | ACHIRAL |
logP: | 4.4555 |
logD: | 4.1258 |
logSw: | -4.3969 |
Hydrogen bond acceptors count: | 9 |
Hydrogen bond donors count: | 1 |
Polar surface area: | 79.34 |
InChI Key: | FIVXRFRCTHRVDJ-UHFFFAOYSA-N |