2-({[5-(3-chloro-2-methylphenyl)-4-imino-3-methyl-4,5-dihydro-1H-pyrazolo[3,4-d]pyrimidin-6-yl]sulfanyl}methyl)-4H-pyrido[1,2-a]pyrimidin-4-one
Chemical Structure Depiction of
2-({[5-(3-chloro-2-methylphenyl)-4-imino-3-methyl-4,5-dihydro-1H-pyrazolo[3,4-d]pyrimidin-6-yl]sulfanyl}methyl)-4H-pyrido[1,2-a]pyrimidin-4-one
2-({[5-(3-chloro-2-methylphenyl)-4-imino-3-methyl-4,5-dihydro-1H-pyrazolo[3,4-d]pyrimidin-6-yl]sulfanyl}methyl)-4H-pyrido[1,2-a]pyrimidin-4-one
Compound characteristics
| Compound ID: | K898-0780 |
| Compound Name: | 2-({[5-(3-chloro-2-methylphenyl)-4-imino-3-methyl-4,5-dihydro-1H-pyrazolo[3,4-d]pyrimidin-6-yl]sulfanyl}methyl)-4H-pyrido[1,2-a]pyrimidin-4-one |
| Molecular Weight: | 463.95 |
| Molecular Formula: | C22 H18 Cl N7 O S |
| Smiles: | Cc1c(cccc1[Cl])N1C(c2c(C)n[nH]c2N=C1SCC1=CC(N2C=CC=CC2=N1)=O)=N |
| Stereo: | ACHIRAL |
| logP: | 2.9489 |
| logD: | -1.1156 |
| logSw: | -3.7634 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 78.454 |
| InChI Key: | LGDJNXDLPGAQFL-UHFFFAOYSA-N |