N-(5-{[(3-methylphenyl)methyl]sulfanyl}-1,3,4-thiadiazol-2-yl)adamantane-1-carboxamide
Chemical Structure Depiction of
N-(5-{[(3-methylphenyl)methyl]sulfanyl}-1,3,4-thiadiazol-2-yl)adamantane-1-carboxamide
N-(5-{[(3-methylphenyl)methyl]sulfanyl}-1,3,4-thiadiazol-2-yl)adamantane-1-carboxamide
Compound characteristics
| Compound ID: | V002-6979 |
| Compound Name: | N-(5-{[(3-methylphenyl)methyl]sulfanyl}-1,3,4-thiadiazol-2-yl)adamantane-1-carboxamide |
| Molecular Weight: | 399.58 |
| Molecular Formula: | C21 H25 N3 O S2 |
| Smiles: | Cc1cccc(CSc2nnc(NC(C34CC5CC(CC(C5)C4)C3)=O)s2)c1 |
| Stereo: | ACHIRAL |
| logP: | 6.8225 |
| logD: | 6.8047 |
| logSw: | -5.6043 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 45.997 |
| InChI Key: | MHUGVNQGHKBLAU-UHFFFAOYSA-N |