3-oxo-2-{[4-(2-phenoxyethyl)-5-sulfanylidene-4,5-dihydro-1,3,4-thiadiazol-2-yl]sulfanyl}-N-phenylbutanamide
Chemical Structure Depiction of
3-oxo-2-{[4-(2-phenoxyethyl)-5-sulfanylidene-4,5-dihydro-1,3,4-thiadiazol-2-yl]sulfanyl}-N-phenylbutanamide
3-oxo-2-{[4-(2-phenoxyethyl)-5-sulfanylidene-4,5-dihydro-1,3,4-thiadiazol-2-yl]sulfanyl}-N-phenylbutanamide
Compound characteristics
| Compound ID: | 6521-0457 |
| Compound Name: | 3-oxo-2-{[4-(2-phenoxyethyl)-5-sulfanylidene-4,5-dihydro-1,3,4-thiadiazol-2-yl]sulfanyl}-N-phenylbutanamide |
| Molecular Weight: | 445.58 |
| Molecular Formula: | C20 H19 N3 O3 S3 |
| Smiles: | CC(C(C(Nc1ccccc1)=O)SC1=NN(CCOc2ccccc2)C(=S)S1)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.4445 |
| logD: | 4.4445 |
| logSw: | -4.1436 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 60.193 |
| InChI Key: | ZSYBENPMLONYIQ-KRWDZBQOSA-N |