2-[(4-methyl-5-sulfanylidene-4,5-dihydro-1,3,4-thiadiazol-2-yl)sulfanyl]-3-oxo-N-phenylbutanamide
Chemical Structure Depiction of
2-[(4-methyl-5-sulfanylidene-4,5-dihydro-1,3,4-thiadiazol-2-yl)sulfanyl]-3-oxo-N-phenylbutanamide
2-[(4-methyl-5-sulfanylidene-4,5-dihydro-1,3,4-thiadiazol-2-yl)sulfanyl]-3-oxo-N-phenylbutanamide
Compound characteristics
| Compound ID: | 8018-6053 |
| Compound Name: | 2-[(4-methyl-5-sulfanylidene-4,5-dihydro-1,3,4-thiadiazol-2-yl)sulfanyl]-3-oxo-N-phenylbutanamide |
| Molecular Weight: | 339.45 |
| Molecular Formula: | C13 H13 N3 O2 S3 |
| Smiles: | CC(C(C(Nc1ccccc1)=O)SC1=NN(C)C(=S)S1)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.7306 |
| logD: | 2.7306 |
| logSw: | -3.2344 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 52.747 |
| InChI Key: | DXMRZRZCCWGTLC-JTQLQIEISA-N |