4-tert-butyl-N-(5-{[2-(4-chloro-3-methylphenyl)-2-oxoethyl]sulfanyl}-1,3,4-thiadiazol-2-yl)benzamide
Chemical Structure Depiction of
4-tert-butyl-N-(5-{[2-(4-chloro-3-methylphenyl)-2-oxoethyl]sulfanyl}-1,3,4-thiadiazol-2-yl)benzamide
4-tert-butyl-N-(5-{[2-(4-chloro-3-methylphenyl)-2-oxoethyl]sulfanyl}-1,3,4-thiadiazol-2-yl)benzamide
Compound characteristics
| Compound ID: | V012-3996 |
| Compound Name: | 4-tert-butyl-N-(5-{[2-(4-chloro-3-methylphenyl)-2-oxoethyl]sulfanyl}-1,3,4-thiadiazol-2-yl)benzamide |
| Molecular Weight: | 460.02 |
| Molecular Formula: | C22 H22 Cl N3 O2 S2 |
| Salt: | not_available |
| Smiles: | Cc1cc(ccc1[Cl])C(CSc1nnc(NC(c2ccc(cc2)C(C)(C)C)=O)s1)=O |
| Stereo: | ACHIRAL |
| logP: | 7.2731 |
| logD: | 7.217 |
| logSw: | -6.5029 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 59.211 |
| InChI Key: | JPMPISBFDOSBEP-UHFFFAOYSA-N |