2-{[(5-methyl-4-oxo-7-phenyl-3-propyl-4,5-dihydro-3H-pyrrolo[3,2-d]pyrimidin-2-yl)sulfanyl]methyl}-4H-pyrido[1,2-a]pyrimidin-4-one
Chemical Structure Depiction of
2-{[(5-methyl-4-oxo-7-phenyl-3-propyl-4,5-dihydro-3H-pyrrolo[3,2-d]pyrimidin-2-yl)sulfanyl]methyl}-4H-pyrido[1,2-a]pyrimidin-4-one
2-{[(5-methyl-4-oxo-7-phenyl-3-propyl-4,5-dihydro-3H-pyrrolo[3,2-d]pyrimidin-2-yl)sulfanyl]methyl}-4H-pyrido[1,2-a]pyrimidin-4-one
Compound characteristics
| Compound ID: | L105-0018 |
| Compound Name: | 2-{[(5-methyl-4-oxo-7-phenyl-3-propyl-4,5-dihydro-3H-pyrrolo[3,2-d]pyrimidin-2-yl)sulfanyl]methyl}-4H-pyrido[1,2-a]pyrimidin-4-one |
| Molecular Weight: | 457.55 |
| Molecular Formula: | C25 H23 N5 O2 S |
| Smiles: | CCCN1C(=Nc2c(cn(C)c2C1=O)c1ccccc1)SCC1=CC(N2C=CC=CC2=N1)=O |
| Stereo: | ACHIRAL |
| logP: | 3.4709 |
| logD: | 3.4709 |
| logSw: | -3.5788 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 52.181 |
| InChI Key: | DGNCXCVPUYUYIT-UHFFFAOYSA-N |