2-{[(4-chlorophenyl)methyl]sulfanyl}-8,8-dimethyl-5-(propan-2-yl)-5,8,9,10-tetrahydropyrimido[4,5-b]quinoline-4,6(3H,7H)-dione
Chemical Structure Depiction of
2-{[(4-chlorophenyl)methyl]sulfanyl}-8,8-dimethyl-5-(propan-2-yl)-5,8,9,10-tetrahydropyrimido[4,5-b]quinoline-4,6(3H,7H)-dione
2-{[(4-chlorophenyl)methyl]sulfanyl}-8,8-dimethyl-5-(propan-2-yl)-5,8,9,10-tetrahydropyrimido[4,5-b]quinoline-4,6(3H,7H)-dione
Compound characteristics
| Compound ID: | C202-1592 |
| Compound Name: | 2-{[(4-chlorophenyl)methyl]sulfanyl}-8,8-dimethyl-5-(propan-2-yl)-5,8,9,10-tetrahydropyrimido[4,5-b]quinoline-4,6(3H,7H)-dione |
| Molecular Weight: | 443.99 |
| Molecular Formula: | C23 H26 Cl N3 O2 S |
| Smiles: | CC(C)C1C2=C(CC(C)(C)CC2=O)NC2=C1C(NC(=N2)SCc1ccc(cc1)[Cl])=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.0774 |
| logD: | 2.0215 |
| logSw: | -4.472 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 57.622 |
| InChI Key: | CVHNDELSLUPQBT-QGZVFWFLSA-N |