S-{2-[(5,5-dimethyl-7-oxo-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)amino]-2-oxoethyl} benzenecarbothioate
Chemical Structure Depiction of
S-{2-[(5,5-dimethyl-7-oxo-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)amino]-2-oxoethyl} benzenecarbothioate
S-{2-[(5,5-dimethyl-7-oxo-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)amino]-2-oxoethyl} benzenecarbothioate
Compound characteristics
| Compound ID: | 8009-5072 |
| Compound Name: | S-{2-[(5,5-dimethyl-7-oxo-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)amino]-2-oxoethyl} benzenecarbothioate |
| Molecular Weight: | 374.48 |
| Molecular Formula: | C18 H18 N2 O3 S2 |
| Smiles: | CC1(C)CC(c2c(C1)nc(NC(CSC(c1ccccc1)=O)=O)s2)=O |
| Stereo: | ACHIRAL |
| logP: | 3.6842 |
| logD: | 3.5556 |
| logSw: | -3.9387 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 61.104 |
| InChI Key: | WAJKPHQAAFRJLN-UHFFFAOYSA-N |