2-{[(3-butyl-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-butyl-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-butyl-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: | K292-0761 |
| Compound Name: | 2-{[(3-butyl-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: | 432.95 |
| Molecular Formula: | C19 H17 Cl N4 O2 S2 |
| Smiles: | CCCCN1C(=Nc2ccsc2C1=O)SCC1=CC(N2C=C(C=CC2=N1)[Cl])=O |
| Stereo: | ACHIRAL |
| logP: | 3.3398 |
| logD: | 3.3398 |
| logSw: | -3.6166 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 53.545 |
| InChI Key: | ISXMRDFSWZUYMX-UHFFFAOYSA-N |