2-({[4-imino-5-(4-methoxyphenyl)-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-({[4-imino-5-(4-methoxyphenyl)-3-methyl-4,5-dihydro-1H-pyrazolo[3,4-d]pyrimidin-6-yl]sulfanyl}methyl)-4H-pyrido[1,2-a]pyrimidin-4-one
2-({[4-imino-5-(4-methoxyphenyl)-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: | K898-1242 |
| Compound Name: | 2-({[4-imino-5-(4-methoxyphenyl)-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: | 445.5 |
| Molecular Formula: | C22 H19 N7 O2 S |
| Smiles: | Cc1c2C(=N)N(C(=Nc2[nH]n1)SCC1=CC(N2C=CC=CC2=N1)=O)c1ccc(cc1)OC |
| Stereo: | ACHIRAL |
| logP: | 1.8224 |
| logD: | -2.4462 |
| logSw: | -2.3723 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 86.299 |
| InChI Key: | MOEHPBQYFZIHLS-UHFFFAOYSA-N |