N-[5-({[4-(propan-2-yl)phenyl]methyl}sulfanyl)-1,3,4-thiadiazol-2-yl]butanamide
Chemical Structure Depiction of
N-[5-({[4-(propan-2-yl)phenyl]methyl}sulfanyl)-1,3,4-thiadiazol-2-yl]butanamide
N-[5-({[4-(propan-2-yl)phenyl]methyl}sulfanyl)-1,3,4-thiadiazol-2-yl]butanamide
Compound characteristics
| Compound ID: | V011-3812 |
| Compound Name: | N-[5-({[4-(propan-2-yl)phenyl]methyl}sulfanyl)-1,3,4-thiadiazol-2-yl]butanamide |
| Molecular Weight: | 335.49 |
| Molecular Formula: | C16 H21 N3 O S2 |
| Smiles: | CCCC(Nc1nnc(SCc2ccc(cc2)C(C)C)s1)=O |
| Stereo: | ACHIRAL |
| logP: | 4.8058 |
| logD: | 4.8035 |
| logSw: | -4.3718 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 46.022 |
| InChI Key: | XQVQQTMFNFNWAB-UHFFFAOYSA-N |