N-(5-{[2-(2,4-dimethylphenyl)-2-oxoethyl]sulfanyl}-1,3,4-thiadiazol-2-yl)heptanamide
Chemical Structure Depiction of
N-(5-{[2-(2,4-dimethylphenyl)-2-oxoethyl]sulfanyl}-1,3,4-thiadiazol-2-yl)heptanamide
N-(5-{[2-(2,4-dimethylphenyl)-2-oxoethyl]sulfanyl}-1,3,4-thiadiazol-2-yl)heptanamide
Compound characteristics
| Compound ID: | V008-0050 |
| Compound Name: | N-(5-{[2-(2,4-dimethylphenyl)-2-oxoethyl]sulfanyl}-1,3,4-thiadiazol-2-yl)heptanamide |
| Molecular Weight: | 391.55 |
| Molecular Formula: | C19 H25 N3 O2 S2 |
| Smiles: | CCCCCCC(Nc1nnc(SCC(c2ccc(C)cc2C)=O)s1)=O |
| Stereo: | ACHIRAL |
| logP: | 5.7734 |
| logD: | 5.7711 |
| logSw: | -5.2135 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 59.269 |
| InChI Key: | JPCMQXYZVHUEAA-UHFFFAOYSA-N |