N-(butan-2-yl)-2-{[5-(5-chloro-2-methylphenyl)-4-imino-3-methyl-4,5-dihydro-1H-pyrazolo[3,4-d]pyrimidin-6-yl]sulfanyl}acetamide
Chemical Structure Depiction of
N-(butan-2-yl)-2-{[5-(5-chloro-2-methylphenyl)-4-imino-3-methyl-4,5-dihydro-1H-pyrazolo[3,4-d]pyrimidin-6-yl]sulfanyl}acetamide
N-(butan-2-yl)-2-{[5-(5-chloro-2-methylphenyl)-4-imino-3-methyl-4,5-dihydro-1H-pyrazolo[3,4-d]pyrimidin-6-yl]sulfanyl}acetamide
Compound characteristics
| Compound ID: | K898-0105 |
| Compound Name: | N-(butan-2-yl)-2-{[5-(5-chloro-2-methylphenyl)-4-imino-3-methyl-4,5-dihydro-1H-pyrazolo[3,4-d]pyrimidin-6-yl]sulfanyl}acetamide |
| Molecular Weight: | 418.95 |
| Molecular Formula: | C19 H23 Cl N6 O S |
| Smiles: | CCC(C)NC(CSC1=Nc2c(C(=N)N1c1cc(ccc1C)[Cl])c(C)n[nH]2)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.0508 |
| logD: | -1.0137 |
| logSw: | -3.8111 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 76.652 |
| InChI Key: | CHOBVUBCUXGWFY-NSHDSACASA-N |