2-{[2-(4-bromophenyl)-2-oxoethyl]sulfanyl}-3-(2-methylphenyl)-6,7,8,9-tetrahydropyrimido[4,5-b]quinolin-4(3H)-one
Chemical Structure Depiction of
2-{[2-(4-bromophenyl)-2-oxoethyl]sulfanyl}-3-(2-methylphenyl)-6,7,8,9-tetrahydropyrimido[4,5-b]quinolin-4(3H)-one
2-{[2-(4-bromophenyl)-2-oxoethyl]sulfanyl}-3-(2-methylphenyl)-6,7,8,9-tetrahydropyrimido[4,5-b]quinolin-4(3H)-one
Compound characteristics
| Compound ID: | 5218-2491 |
| Compound Name: | 2-{[2-(4-bromophenyl)-2-oxoethyl]sulfanyl}-3-(2-methylphenyl)-6,7,8,9-tetrahydropyrimido[4,5-b]quinolin-4(3H)-one |
| Molecular Weight: | 520.45 |
| Molecular Formula: | C26 H22 Br N3 O2 S |
| Smiles: | Cc1ccccc1N1C(=Nc2c(cc3CCCCc3n2)C1=O)SCC(c1ccc(cc1)[Br])=O |
| Stereo: | ACHIRAL |
| logP: | 6.1417 |
| logD: | 6.1232 |
| logSw: | -5.3547 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 48.718 |
| InChI Key: | FMTSQJGHGSWWPE-UHFFFAOYSA-N |