N-(5-{[(4-tert-butylphenyl)methyl]sulfanyl}-1,3,4-thiadiazol-2-yl)-2,4-dichlorobenzamide
Chemical Structure Depiction of
N-(5-{[(4-tert-butylphenyl)methyl]sulfanyl}-1,3,4-thiadiazol-2-yl)-2,4-dichlorobenzamide
N-(5-{[(4-tert-butylphenyl)methyl]sulfanyl}-1,3,4-thiadiazol-2-yl)-2,4-dichlorobenzamide
Compound characteristics
| Compound ID: | V010-5897 |
| Compound Name: | N-(5-{[(4-tert-butylphenyl)methyl]sulfanyl}-1,3,4-thiadiazol-2-yl)-2,4-dichlorobenzamide |
| Molecular Weight: | 452.42 |
| Molecular Formula: | C20 H19 Cl2 N3 O S2 |
| Salt: | not_available |
| Smiles: | CC(C)(C)c1ccc(CSc2nnc(NC(c3ccc(cc3[Cl])[Cl])=O)s2)cc1 |
| Stereo: | ACHIRAL |
| logP: | 7.182 |
| logD: | 6.2138 |
| logSw: | -6.3893 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 45.964 |
| InChI Key: | ZXQVZCGROHFQPF-UHFFFAOYSA-N |