N-(5-{[2-(4-chlorophenyl)-2-oxoethyl]sulfanyl}-1,3,4-thiadiazol-2-yl)-2-ethylhexanamide
Chemical Structure Depiction of
N-(5-{[2-(4-chlorophenyl)-2-oxoethyl]sulfanyl}-1,3,4-thiadiazol-2-yl)-2-ethylhexanamide
N-(5-{[2-(4-chlorophenyl)-2-oxoethyl]sulfanyl}-1,3,4-thiadiazol-2-yl)-2-ethylhexanamide
Compound characteristics
| Compound ID: | V007-6607 |
| Compound Name: | N-(5-{[2-(4-chlorophenyl)-2-oxoethyl]sulfanyl}-1,3,4-thiadiazol-2-yl)-2-ethylhexanamide |
| Molecular Weight: | 411.97 |
| Molecular Formula: | C18 H22 Cl N3 O2 S2 |
| Smiles: | CCCCC(CC)C(Nc1nnc(SCC(c2ccc(cc2)[Cl])=O)s1)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 5.7495 |
| logD: | 5.743 |
| logSw: | -5.986 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 59.482 |
| InChI Key: | MIMFNTAFVCSBOX-LBPRGKRZSA-N |