8,8-dimethyl-5-(4-methylphenyl)-2-sulfanylidene-2,3,5,8,9,10-hexahydropyrimido[4,5-b]quinoline-4,6(1H,7H)-dione
Chemical Structure Depiction of
8,8-dimethyl-5-(4-methylphenyl)-2-sulfanylidene-2,3,5,8,9,10-hexahydropyrimido[4,5-b]quinoline-4,6(1H,7H)-dione
8,8-dimethyl-5-(4-methylphenyl)-2-sulfanylidene-2,3,5,8,9,10-hexahydropyrimido[4,5-b]quinoline-4,6(1H,7H)-dione
Compound characteristics
| Compound ID: | C202-0137 |
| Compound Name: | 8,8-dimethyl-5-(4-methylphenyl)-2-sulfanylidene-2,3,5,8,9,10-hexahydropyrimido[4,5-b]quinoline-4,6(1H,7H)-dione |
| Molecular Weight: | 367.47 |
| Molecular Formula: | C20 H21 N3 O2 S |
| Smiles: | Cc1ccc(cc1)C1C2=C(CC(C)(C)CC2=O)NC2=C1C(NC(N2)=S)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.0634 |
| logD: | 2.9215 |
| logSw: | -3.4348 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 58.953 |
| InChI Key: | SOWOEMHGWPBDRP-CQSZACIVSA-N |