1-(2,3-dimethylphenyl)-5,7-dimethyl-2-{[(4-oxo-4H-pyrido[1,2-a]pyrimidin-2-yl)methyl]sulfanyl}pyrido[2,3-d]pyrimidin-4(1H)-one
Chemical Structure Depiction of
1-(2,3-dimethylphenyl)-5,7-dimethyl-2-{[(4-oxo-4H-pyrido[1,2-a]pyrimidin-2-yl)methyl]sulfanyl}pyrido[2,3-d]pyrimidin-4(1H)-one
1-(2,3-dimethylphenyl)-5,7-dimethyl-2-{[(4-oxo-4H-pyrido[1,2-a]pyrimidin-2-yl)methyl]sulfanyl}pyrido[2,3-d]pyrimidin-4(1H)-one
Compound characteristics
| Compound ID: | G749-0305 |
| Compound Name: | 1-(2,3-dimethylphenyl)-5,7-dimethyl-2-{[(4-oxo-4H-pyrido[1,2-a]pyrimidin-2-yl)methyl]sulfanyl}pyrido[2,3-d]pyrimidin-4(1H)-one |
| Molecular Weight: | 469.56 |
| Molecular Formula: | C26 H23 N5 O2 S |
| Smiles: | Cc1cccc(c1C)N1C(=NC(c2c(C)cc(C)nc12)=O)SCC1=CC(N2C=CC=CC2=N1)=O |
| Stereo: | ACHIRAL |
| logP: | 4.2745 |
| logD: | 4.2317 |
| logSw: | -4.5197 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 60.288 |
| InChI Key: | WCJSFINYGROCJI-UHFFFAOYSA-N |