N-(5-{[2-(4-methylphenyl)-2-oxoethyl]sulfanyl}-1,3,4-thiadiazol-2-yl)-2-phenylbutanamide
Chemical Structure Depiction of
N-(5-{[2-(4-methylphenyl)-2-oxoethyl]sulfanyl}-1,3,4-thiadiazol-2-yl)-2-phenylbutanamide
N-(5-{[2-(4-methylphenyl)-2-oxoethyl]sulfanyl}-1,3,4-thiadiazol-2-yl)-2-phenylbutanamide
Compound characteristics
| Compound ID: | V013-9497 |
| Compound Name: | N-(5-{[2-(4-methylphenyl)-2-oxoethyl]sulfanyl}-1,3,4-thiadiazol-2-yl)-2-phenylbutanamide |
| Molecular Weight: | 411.54 |
| Molecular Formula: | C21 H21 N3 O2 S2 |
| Salt: | not_available |
| Smiles: | CCC(C(Nc1nnc(SCC(c2ccc(C)cc2)=O)s1)=O)c1ccccc1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 5.384 |
| logD: | 5.367 |
| logSw: | -5.4337 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 59.211 |
| InChI Key: | RMBAXTGASJCIGG-QGZVFWFLSA-N |