3,3-dimethyl-N-[5-({[4-(propan-2-yl)phenyl]methyl}sulfanyl)-1,3,4-thiadiazol-2-yl]butanamide
Chemical Structure Depiction of
3,3-dimethyl-N-[5-({[4-(propan-2-yl)phenyl]methyl}sulfanyl)-1,3,4-thiadiazol-2-yl]butanamide
3,3-dimethyl-N-[5-({[4-(propan-2-yl)phenyl]methyl}sulfanyl)-1,3,4-thiadiazol-2-yl]butanamide
Compound characteristics
| Compound ID: | V002-7368 |
| Compound Name: | 3,3-dimethyl-N-[5-({[4-(propan-2-yl)phenyl]methyl}sulfanyl)-1,3,4-thiadiazol-2-yl]butanamide |
| Molecular Weight: | 363.54 |
| Molecular Formula: | C18 H25 N3 O S2 |
| Smiles: | CC(C)c1ccc(CSc2nnc(NC(CC(C)(C)C)=O)s2)cc1 |
| Stereo: | ACHIRAL |
| logP: | 5.6826 |
| logD: | 5.6769 |
| logSw: | -5.4311 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 46.022 |
| InChI Key: | FSIHGYRSAHBJFK-UHFFFAOYSA-N |