methyl 1-methyl-4-oxo-2-{[(4-oxo-4H-pyrido[1,2-a]pyrimidin-2-yl)methyl]sulfanyl}-7-(thiophen-2-yl)-1,4-dihydropyrido[2,3-d]pyrimidine-5-carboxylate
Chemical Structure Depiction of
methyl 1-methyl-4-oxo-2-{[(4-oxo-4H-pyrido[1,2-a]pyrimidin-2-yl)methyl]sulfanyl}-7-(thiophen-2-yl)-1,4-dihydropyrido[2,3-d]pyrimidine-5-carboxylate
methyl 1-methyl-4-oxo-2-{[(4-oxo-4H-pyrido[1,2-a]pyrimidin-2-yl)methyl]sulfanyl}-7-(thiophen-2-yl)-1,4-dihydropyrido[2,3-d]pyrimidine-5-carboxylate
Compound characteristics
| Compound ID: | G749-0057 |
| Compound Name: | methyl 1-methyl-4-oxo-2-{[(4-oxo-4H-pyrido[1,2-a]pyrimidin-2-yl)methyl]sulfanyl}-7-(thiophen-2-yl)-1,4-dihydropyrido[2,3-d]pyrimidine-5-carboxylate |
| Molecular Weight: | 491.55 |
| Molecular Formula: | C23 H17 N5 O4 S2 |
| Smiles: | CN1C(=NC(c2c(cc(c3cccs3)nc12)C(=O)OC)=O)SCC1=CC(N2C=CC=CC2=N1)=O |
| Stereo: | ACHIRAL |
| logP: | 3.1079 |
| logD: | 3.1079 |
| logSw: | -3.3337 |
| Hydrogen bond acceptors count: | 11 |
| Polar surface area: | 83.352 |
| InChI Key: | OKHSKCNXSVBDPZ-UHFFFAOYSA-N |