3-chloro-N-{5-[(phenylsulfanyl)methyl]-1,3,4-thiadiazol-2-yl}-1-benzothiophene-2-carboxamide
Chemical Structure Depiction of
3-chloro-N-{5-[(phenylsulfanyl)methyl]-1,3,4-thiadiazol-2-yl}-1-benzothiophene-2-carboxamide
3-chloro-N-{5-[(phenylsulfanyl)methyl]-1,3,4-thiadiazol-2-yl}-1-benzothiophene-2-carboxamide
Compound characteristics
| Compound ID: | Y031-3355 |
| Compound Name: | 3-chloro-N-{5-[(phenylsulfanyl)methyl]-1,3,4-thiadiazol-2-yl}-1-benzothiophene-2-carboxamide |
| Molecular Weight: | 417.96 |
| Molecular Formula: | C18 H12 Cl N3 O S3 |
| Smiles: | C(c1nnc(NC(c2c(c3ccccc3s2)[Cl])=O)s1)Sc1ccccc1 |
| Stereo: | ACHIRAL |
| logP: | 5.6616 |
| logD: | 4.4587 |
| logSw: | -5.9007 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 47.845 |
| InChI Key: | RPTGBPDYNRYFQO-UHFFFAOYSA-N |