1-(3-methyl-1,2,3,4-tetrahydro-9H-carbazol-9-yl)-2-[(4-phenyl-5-sulfanylidene-4,5-dihydro-1,3,4-thiadiazol-2-yl)sulfanyl]ethan-1-one
Chemical Structure Depiction of
1-(3-methyl-1,2,3,4-tetrahydro-9H-carbazol-9-yl)-2-[(4-phenyl-5-sulfanylidene-4,5-dihydro-1,3,4-thiadiazol-2-yl)sulfanyl]ethan-1-one
1-(3-methyl-1,2,3,4-tetrahydro-9H-carbazol-9-yl)-2-[(4-phenyl-5-sulfanylidene-4,5-dihydro-1,3,4-thiadiazol-2-yl)sulfanyl]ethan-1-one
Compound characteristics
| Compound ID: | Y020-7286 |
| Compound Name: | 1-(3-methyl-1,2,3,4-tetrahydro-9H-carbazol-9-yl)-2-[(4-phenyl-5-sulfanylidene-4,5-dihydro-1,3,4-thiadiazol-2-yl)sulfanyl]ethan-1-one |
| Molecular Weight: | 451.63 |
| Molecular Formula: | C23 H21 N3 O S3 |
| Smiles: | CC1CCc2c(C1)c1ccccc1n2C(CSC1=NN(C(=S)S1)c1ccccc1)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 6.0813 |
| logD: | 6.0812 |
| logSw: | -5.7332 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 28.9773 |
| InChI Key: | UTAFKSPKVRSCQY-OAHLLOKOSA-N |