4-butyl-N-(5-{[(3-chlorophenyl)methyl]sulfanyl}-1,3,4-thiadiazol-2-yl)benzamide
Chemical Structure Depiction of
4-butyl-N-(5-{[(3-chlorophenyl)methyl]sulfanyl}-1,3,4-thiadiazol-2-yl)benzamide
4-butyl-N-(5-{[(3-chlorophenyl)methyl]sulfanyl}-1,3,4-thiadiazol-2-yl)benzamide
Compound characteristics
| Compound ID: | V012-0538 |
| Compound Name: | 4-butyl-N-(5-{[(3-chlorophenyl)methyl]sulfanyl}-1,3,4-thiadiazol-2-yl)benzamide |
| Molecular Weight: | 417.98 |
| Molecular Formula: | C20 H20 Cl N3 O S2 |
| Salt: | not_available |
| Smiles: | CCCCc1ccc(cc1)C(Nc1nnc(SCc2cccc(c2)[Cl])s1)=O |
| Stereo: | ACHIRAL |
| logP: | 7.1142 |
| logD: | 7.0581 |
| logSw: | -6.367 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 45.964 |
| InChI Key: | HHCOOCMPCFYPBW-UHFFFAOYSA-N |