N-(2-{[(4-methylphenyl)methyl]sulfanyl}-1,3-benzothiazol-6-yl)thiophene-2-carboxamide
Chemical Structure Depiction of
N-(2-{[(4-methylphenyl)methyl]sulfanyl}-1,3-benzothiazol-6-yl)thiophene-2-carboxamide
N-(2-{[(4-methylphenyl)methyl]sulfanyl}-1,3-benzothiazol-6-yl)thiophene-2-carboxamide
Compound characteristics
| Compound ID: | D336-5544 |
| Compound Name: | N-(2-{[(4-methylphenyl)methyl]sulfanyl}-1,3-benzothiazol-6-yl)thiophene-2-carboxamide |
| Molecular Weight: | 396.55 |
| Molecular Formula: | C20 H16 N2 O S3 |
| Smiles: | Cc1ccc(CSc2nc3ccc(cc3s2)NC(c2cccs2)=O)cc1 |
| Stereo: | ACHIRAL |
| logP: | 5.8001 |
| logD: | 5.8 |
| logSw: | -5.3766 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 33.158 |
| InChI Key: | FGHGNKAFXROBRJ-UHFFFAOYSA-N |