ethyl 4-(2,5-dimethylphenyl)-2-oxo-6-{[(4-phenyl-5-sulfanylidene-4,5-dihydro-1,3,4-thiadiazol-2-yl)sulfanyl]methyl}-1,2,3,4-tetrahydropyrimidine-5-carboxylate
Chemical Structure Depiction of
ethyl 4-(2,5-dimethylphenyl)-2-oxo-6-{[(4-phenyl-5-sulfanylidene-4,5-dihydro-1,3,4-thiadiazol-2-yl)sulfanyl]methyl}-1,2,3,4-tetrahydropyrimidine-5-carboxylate
ethyl 4-(2,5-dimethylphenyl)-2-oxo-6-{[(4-phenyl-5-sulfanylidene-4,5-dihydro-1,3,4-thiadiazol-2-yl)sulfanyl]methyl}-1,2,3,4-tetrahydropyrimidine-5-carboxylate
Compound characteristics
| Compound ID: | 8015-7862 |
| Compound Name: | ethyl 4-(2,5-dimethylphenyl)-2-oxo-6-{[(4-phenyl-5-sulfanylidene-4,5-dihydro-1,3,4-thiadiazol-2-yl)sulfanyl]methyl}-1,2,3,4-tetrahydropyrimidine-5-carboxylate |
| Molecular Weight: | 512.67 |
| Molecular Formula: | C24 H24 N4 O3 S3 |
| Smiles: | CCOC(C1C(c2cc(C)ccc2C)NC(NC=1CSC1=NN(C(=S)S1)c1ccccc1)=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 5.6599 |
| logD: | 5.4747 |
| logSw: | -5.3007 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 71.002 |
| InChI Key: | VWJXLQQVLAXBEM-HXUWFJFHSA-N |