5-(4-bromophenyl)-2-{[(morpholin-4-yl)methyl]sulfanyl}-5,8,9,10-tetrahydropyrimido[4,5-b]quinoline-4,6(3H,7H)-dione
Chemical Structure Depiction of
5-(4-bromophenyl)-2-{[(morpholin-4-yl)methyl]sulfanyl}-5,8,9,10-tetrahydropyrimido[4,5-b]quinoline-4,6(3H,7H)-dione
5-(4-bromophenyl)-2-{[(morpholin-4-yl)methyl]sulfanyl}-5,8,9,10-tetrahydropyrimido[4,5-b]quinoline-4,6(3H,7H)-dione
Compound characteristics
| Compound ID: | C202-0765 |
| Compound Name: | 5-(4-bromophenyl)-2-{[(morpholin-4-yl)methyl]sulfanyl}-5,8,9,10-tetrahydropyrimido[4,5-b]quinoline-4,6(3H,7H)-dione |
| Molecular Weight: | 539.88 |
| Molecular Formula: | C22 H23 Br N4 O3 S |
| Salt: | HCl |
| Smiles: | C1CC2=C(C(C3=C(N2)N=C(NC3=O)SCN2CCOCC2)c2ccc(cc2)[Br])C(C1)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.4844 |
| logD: | 0.6476 |
| logSw: | -2.9053 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 67.392 |
| InChI Key: | WAZFHHAMNRLNDV-KRWDZBQOSA-N |