8,8-dimethyl-5-(4-methylphenyl)-2-{[2-(morpholin-4-yl)ethyl]sulfanyl}-5,8,9,10-tetrahydropyrimido[4,5-b]quinoline-4,6(3H,7H)-dione--hydrogen chloride (1/1)
Chemical Structure Depiction of
8,8-dimethyl-5-(4-methylphenyl)-2-{[2-(morpholin-4-yl)ethyl]sulfanyl}-5,8,9,10-tetrahydropyrimido[4,5-b]quinoline-4,6(3H,7H)-dione--hydrogen chloride (1/1)
8,8-dimethyl-5-(4-methylphenyl)-2-{[2-(morpholin-4-yl)ethyl]sulfanyl}-5,8,9,10-tetrahydropyrimido[4,5-b]quinoline-4,6(3H,7H)-dione--hydrogen chloride (1/1)
Compound characteristics
| Compound ID: | C318-0011 |
| Compound Name: | 8,8-dimethyl-5-(4-methylphenyl)-2-{[2-(morpholin-4-yl)ethyl]sulfanyl}-5,8,9,10-tetrahydropyrimido[4,5-b]quinoline-4,6(3H,7H)-dione--hydrogen chloride (1/1) |
| Molecular Weight: | 517.09 |
| Molecular Formula: | C26 H32 N4 O3 S |
| Salt: | HCl |
| Smiles: | Cc1ccc(cc1)C1C2=C(CC(C)(C)CC2=O)NC2=C1C(NC(=N2)SCCN1CCOCC1)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.6926 |
| logD: | 2.6926 |
| logSw: | -3.0366 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 69.242 |
| InChI Key: | UZFIIHXKLLAYBL-FQEVSTJZSA-N |