N-{[3-(1,3-benzothiazol-2-yl)-4-hydroxyphenyl]carbamothioyl}-3-methylbenzamide
Chemical Structure Depiction of
N-{[3-(1,3-benzothiazol-2-yl)-4-hydroxyphenyl]carbamothioyl}-3-methylbenzamide
N-{[3-(1,3-benzothiazol-2-yl)-4-hydroxyphenyl]carbamothioyl}-3-methylbenzamide
Compound characteristics
| Compound ID: | 4490-2029 |
| Compound Name: | N-{[3-(1,3-benzothiazol-2-yl)-4-hydroxyphenyl]carbamothioyl}-3-methylbenzamide |
| Molecular Weight: | 419.52 |
| Molecular Formula: | C22 H17 N3 O2 S2 |
| Smiles: | Cc1cccc(c1)C(NC(Nc1ccc(c(c1)c1nc2ccccc2s1)O)=S)=O |
| Stereo: | ACHIRAL |
| logP: | 6.2346 |
| logD: | 6.2329 |
| logSw: | -5.2993 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 59.237 |
| InChI Key: | IVAVQIDQJQHEGD-UHFFFAOYSA-N |