5-(4-bromophenyl)-2-{[(2,4-dimethylphenyl)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-{[(2,4-dimethylphenyl)methyl]sulfanyl}-8,8-dimethyl-5,8,9,10-tetrahydropyrimido[4,5-b]quinoline-4,6(3H,7H)-dione
5-(4-bromophenyl)-2-{[(2,4-dimethylphenyl)methyl]sulfanyl}-8,8-dimethyl-5,8,9,10-tetrahydropyrimido[4,5-b]quinoline-4,6(3H,7H)-dione
Compound characteristics
| Compound ID: | C202-0425 |
| Compound Name: | 5-(4-bromophenyl)-2-{[(2,4-dimethylphenyl)methyl]sulfanyl}-8,8-dimethyl-5,8,9,10-tetrahydropyrimido[4,5-b]quinoline-4,6(3H,7H)-dione |
| Molecular Weight: | 550.52 |
| Molecular Formula: | C28 H28 Br N3 O2 S |
| Smiles: | Cc1ccc(CSC2NC(C3C(C4=C(CC(C)(C)CC4=O)NC=3N=2)c2ccc(cc2)[Br])=O)c(C)c1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 6.0899 |
| logD: | 4.27 |
| logSw: | -5.4068 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 57.35 |
| InChI Key: | ACRYYQZNGRMBJX-QFIPXVFZSA-N |