2-{[4-imino-5-(3-methoxyphenyl)-3-methyl-4,5-dihydro-1H-pyrazolo[3,4-d]pyrimidin-6-yl]sulfanyl}-N-[(oxolan-2-yl)methyl]acetamide
Chemical Structure Depiction of
2-{[4-imino-5-(3-methoxyphenyl)-3-methyl-4,5-dihydro-1H-pyrazolo[3,4-d]pyrimidin-6-yl]sulfanyl}-N-[(oxolan-2-yl)methyl]acetamide
2-{[4-imino-5-(3-methoxyphenyl)-3-methyl-4,5-dihydro-1H-pyrazolo[3,4-d]pyrimidin-6-yl]sulfanyl}-N-[(oxolan-2-yl)methyl]acetamide
Compound characteristics
| Compound ID: | K898-0417 |
| Compound Name: | 2-{[4-imino-5-(3-methoxyphenyl)-3-methyl-4,5-dihydro-1H-pyrazolo[3,4-d]pyrimidin-6-yl]sulfanyl}-N-[(oxolan-2-yl)methyl]acetamide |
| Molecular Weight: | 428.51 |
| Molecular Formula: | C20 H24 N6 O3 S |
| Smiles: | Cc1c2C(=N)N(C(=Nc2[nH]n1)SCC(NCC1CCCO1)=O)c1cccc(c1)OC |
| Stereo: | RACEMIC MIXTURE |
| logP: | 1.0443 |
| logD: | -3.1004 |
| logSw: | -2.3193 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 93.438 |
| InChI Key: | VJMBKBYPLCWFCY-OAHLLOKOSA-N |