2-({[3-(4-bromophenyl)-4-oxo-3,4-dihydrothieno[3,2-d]pyrimidin-2-yl]sulfanyl}methyl)-7-chloro-4H-pyrido[1,2-a]pyrimidin-4-one
Chemical Structure Depiction of
2-({[3-(4-bromophenyl)-4-oxo-3,4-dihydrothieno[3,2-d]pyrimidin-2-yl]sulfanyl}methyl)-7-chloro-4H-pyrido[1,2-a]pyrimidin-4-one
2-({[3-(4-bromophenyl)-4-oxo-3,4-dihydrothieno[3,2-d]pyrimidin-2-yl]sulfanyl}methyl)-7-chloro-4H-pyrido[1,2-a]pyrimidin-4-one
Compound characteristics
| Compound ID: | K292-0345 |
| Compound Name: | 2-({[3-(4-bromophenyl)-4-oxo-3,4-dihydrothieno[3,2-d]pyrimidin-2-yl]sulfanyl}methyl)-7-chloro-4H-pyrido[1,2-a]pyrimidin-4-one |
| Molecular Weight: | 531.84 |
| Molecular Formula: | C21 H12 Br Cl N4 O2 S2 |
| Smiles: | C(C1=CC(N2C=C(C=CC2=N1)[Cl])=O)SC1=Nc2ccsc2C(N1c1ccc(cc1)[Br])=O |
| Stereo: | ACHIRAL |
| logP: | 4.0364 |
| logD: | 4.0364 |
| logSw: | -4.3741 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 52.683 |
| InChI Key: | WCUGNUHQLXAELU-UHFFFAOYSA-N |