N-(butan-2-yl)-2-{[4-imino-5-(3-methoxyphenyl)-3-methyl-4,5-dihydro-1H-pyrazolo[3,4-d]pyrimidin-6-yl]sulfanyl}acetamide
Chemical Structure Depiction of
N-(butan-2-yl)-2-{[4-imino-5-(3-methoxyphenyl)-3-methyl-4,5-dihydro-1H-pyrazolo[3,4-d]pyrimidin-6-yl]sulfanyl}acetamide
N-(butan-2-yl)-2-{[4-imino-5-(3-methoxyphenyl)-3-methyl-4,5-dihydro-1H-pyrazolo[3,4-d]pyrimidin-6-yl]sulfanyl}acetamide
Compound characteristics
| Compound ID: | K898-0413 |
| Compound Name: | N-(butan-2-yl)-2-{[4-imino-5-(3-methoxyphenyl)-3-methyl-4,5-dihydro-1H-pyrazolo[3,4-d]pyrimidin-6-yl]sulfanyl}acetamide |
| Molecular Weight: | 400.5 |
| Molecular Formula: | C19 H24 N6 O2 S |
| Smiles: | CCC(C)NC(CSC1=Nc2c(C(=N)N1c1cccc(c1)OC)c(C)n[nH]2)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.0547 |
| logD: | -2.09 |
| logSw: | -2.7026 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 84.497 |
| InChI Key: | KNSURGPRGIISTD-NSHDSACASA-N |