3-chloro-N-{5-[(3,4-dimethoxyphenyl)methyl]-1,3,4-thiadiazol-2-yl}-1-benzothiophene-2-carboxamide
Chemical Structure Depiction of
3-chloro-N-{5-[(3,4-dimethoxyphenyl)methyl]-1,3,4-thiadiazol-2-yl}-1-benzothiophene-2-carboxamide
3-chloro-N-{5-[(3,4-dimethoxyphenyl)methyl]-1,3,4-thiadiazol-2-yl}-1-benzothiophene-2-carboxamide
Compound characteristics
| Compound ID: | Y030-9031 |
| Compound Name: | 3-chloro-N-{5-[(3,4-dimethoxyphenyl)methyl]-1,3,4-thiadiazol-2-yl}-1-benzothiophene-2-carboxamide |
| Molecular Weight: | 445.94 |
| Molecular Formula: | C20 H16 Cl N3 O3 S2 |
| Smiles: | COc1ccc(Cc2nnc(NC(c3c(c4ccccc4s3)[Cl])=O)s2)cc1OC |
| Stereo: | ACHIRAL |
| logP: | 5.0058 |
| logD: | 4.5652 |
| logSw: | -5.233 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 63.106 |
| InChI Key: | XJNJXABTSKUNNV-UHFFFAOYSA-N |