5-(4-bromophenyl)-2-sulfanylidene-2,3,5,8,9,10-hexahydropyrimido[4,5-b]quinoline-4,6(1H,7H)-dione
Chemical Structure Depiction of
5-(4-bromophenyl)-2-sulfanylidene-2,3,5,8,9,10-hexahydropyrimido[4,5-b]quinoline-4,6(1H,7H)-dione
5-(4-bromophenyl)-2-sulfanylidene-2,3,5,8,9,10-hexahydropyrimido[4,5-b]quinoline-4,6(1H,7H)-dione
Compound characteristics
| Compound ID: | C202-0427 |
| Compound Name: | 5-(4-bromophenyl)-2-sulfanylidene-2,3,5,8,9,10-hexahydropyrimido[4,5-b]quinoline-4,6(1H,7H)-dione |
| Molecular Weight: | 404.28 |
| Molecular Formula: | C17 H14 Br N3 O2 S |
| Smiles: | C1CC2=C(C(C3=C(N2)NC(NC3=O)=S)c2ccc(cc2)[Br])C(C1)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.8684 |
| logD: | 2.8051 |
| logSw: | -3.5051 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 58.953 |
| InChI Key: | IXBSJVSSJHWAES-LBPRGKRZSA-N |