5-(4-bromophenyl)-8,8-dimethyl-2-{[2-(morpholin-4-yl)ethyl]sulfanyl}-5,8,9,10-tetrahydropyrimido[4,5-b]quinoline-4,6(3H,7H)-dione
Chemical Structure Depiction of
5-(4-bromophenyl)-8,8-dimethyl-2-{[2-(morpholin-4-yl)ethyl]sulfanyl}-5,8,9,10-tetrahydropyrimido[4,5-b]quinoline-4,6(3H,7H)-dione
5-(4-bromophenyl)-8,8-dimethyl-2-{[2-(morpholin-4-yl)ethyl]sulfanyl}-5,8,9,10-tetrahydropyrimido[4,5-b]quinoline-4,6(3H,7H)-dione
Compound characteristics
| Compound ID: | C318-0016 |
| Compound Name: | 5-(4-bromophenyl)-8,8-dimethyl-2-{[2-(morpholin-4-yl)ethyl]sulfanyl}-5,8,9,10-tetrahydropyrimido[4,5-b]quinoline-4,6(3H,7H)-dione |
| Molecular Weight: | 545.5 |
| Molecular Formula: | C25 H29 Br N4 O3 S |
| Smiles: | CC1(C)CC2=C(C(C3=C(N2)N=C(NC3=O)SCCN2CCOCC2)c2ccc(cc2)[Br])C(C1)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.1031 |
| logD: | 3.1031 |
| logSw: | -3.2793 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 69.242 |
| InChI Key: | ONKCWJXAKZKEMJ-IBGZPJMESA-N |