1-(2,3-dimethyl-1H-indol-1-yl)-2-[(4-phenyl-5-sulfanylidene-4,5-dihydro-1,3,4-thiadiazol-2-yl)sulfanyl]ethan-1-one
Chemical Structure Depiction of
1-(2,3-dimethyl-1H-indol-1-yl)-2-[(4-phenyl-5-sulfanylidene-4,5-dihydro-1,3,4-thiadiazol-2-yl)sulfanyl]ethan-1-one
1-(2,3-dimethyl-1H-indol-1-yl)-2-[(4-phenyl-5-sulfanylidene-4,5-dihydro-1,3,4-thiadiazol-2-yl)sulfanyl]ethan-1-one
Compound characteristics
| Compound ID: | 4934-0067 |
| Compound Name: | 1-(2,3-dimethyl-1H-indol-1-yl)-2-[(4-phenyl-5-sulfanylidene-4,5-dihydro-1,3,4-thiadiazol-2-yl)sulfanyl]ethan-1-one |
| Molecular Weight: | 411.56 |
| Molecular Formula: | C20 H17 N3 O S3 |
| Smiles: | Cc1c2ccccc2n(C(CSC2=NN(C(=S)S2)c2ccccc2)=O)c1C |
| Stereo: | ACHIRAL |
| logP: | 5.0941 |
| logD: | 5.094 |
| logSw: | -5.0435 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 29.0719 |
| InChI Key: | FFJUNTOXVKQITH-UHFFFAOYSA-N |