2-{[(3-chlorophenyl)methyl]sulfanyl}-8,8-dimethyl-5-(4-nitrophenyl)-5,8,9,10-tetrahydropyrimido[4,5-b]quinoline-4,6(3H,7H)-dione
Chemical Structure Depiction of
2-{[(3-chlorophenyl)methyl]sulfanyl}-8,8-dimethyl-5-(4-nitrophenyl)-5,8,9,10-tetrahydropyrimido[4,5-b]quinoline-4,6(3H,7H)-dione
2-{[(3-chlorophenyl)methyl]sulfanyl}-8,8-dimethyl-5-(4-nitrophenyl)-5,8,9,10-tetrahydropyrimido[4,5-b]quinoline-4,6(3H,7H)-dione
Compound characteristics
| Compound ID: | C318-0119 |
| Compound Name: | 2-{[(3-chlorophenyl)methyl]sulfanyl}-8,8-dimethyl-5-(4-nitrophenyl)-5,8,9,10-tetrahydropyrimido[4,5-b]quinoline-4,6(3H,7H)-dione |
| Molecular Weight: | 523.01 |
| Molecular Formula: | C26 H23 Cl N4 O4 S |
| Smiles: | CC1(C)CC2=C(C(C3=C(N2)N=C(NC3=O)SCc2cccc(c2)[Cl])c2ccc(cc2)[N+]([O-])=O)C(C1)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.7484 |
| logD: | 2.9286 |
| logSw: | -5.1926 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 90.732 |
| InChI Key: | YGRBMCQCQZCOMS-HXUWFJFHSA-N |