5-(4-bromophenyl)-2-{[(4-chlorophenyl)methyl]sulfanyl}-8,8-dimethyl-5,8,9,10-tetrahydropyrimido[4,5-b]quinoline-4,6(3H,7H)-dione
Chemical Structure Depiction of
5-(4-bromophenyl)-2-{[(4-chlorophenyl)methyl]sulfanyl}-8,8-dimethyl-5,8,9,10-tetrahydropyrimido[4,5-b]quinoline-4,6(3H,7H)-dione
5-(4-bromophenyl)-2-{[(4-chlorophenyl)methyl]sulfanyl}-8,8-dimethyl-5,8,9,10-tetrahydropyrimido[4,5-b]quinoline-4,6(3H,7H)-dione
Compound characteristics
| Compound ID: | C202-0424 |
| Compound Name: | 5-(4-bromophenyl)-2-{[(4-chlorophenyl)methyl]sulfanyl}-8,8-dimethyl-5,8,9,10-tetrahydropyrimido[4,5-b]quinoline-4,6(3H,7H)-dione |
| Molecular Weight: | 556.91 |
| Molecular Formula: | C26 H23 Br Cl N3 O2 S |
| Smiles: | CC1(C)CC2=C(C(C3=C(N2)N=C(NC3=O)SCc2ccc(cc2)[Cl])c2ccc(cc2)[Br])C(C1)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 5.3184 |
| logD: | 3.4985 |
| logSw: | -6.3135 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 57.35 |
| InChI Key: | ILRDLLBGOXYRMA-FQEVSTJZSA-N |