2-{[5-(2,5-dimethylphenyl)-4-imino-3-methyl-4,5-dihydro-1H-pyrazolo[3,4-d]pyrimidin-6-yl]sulfanyl}-N-[(4-methylphenyl)methyl]acetamide
Chemical Structure Depiction of
2-{[5-(2,5-dimethylphenyl)-4-imino-3-methyl-4,5-dihydro-1H-pyrazolo[3,4-d]pyrimidin-6-yl]sulfanyl}-N-[(4-methylphenyl)methyl]acetamide
2-{[5-(2,5-dimethylphenyl)-4-imino-3-methyl-4,5-dihydro-1H-pyrazolo[3,4-d]pyrimidin-6-yl]sulfanyl}-N-[(4-methylphenyl)methyl]acetamide
Compound characteristics
| Compound ID: | K898-0970 |
| Compound Name: | 2-{[5-(2,5-dimethylphenyl)-4-imino-3-methyl-4,5-dihydro-1H-pyrazolo[3,4-d]pyrimidin-6-yl]sulfanyl}-N-[(4-methylphenyl)methyl]acetamide |
| Molecular Weight: | 446.57 |
| Molecular Formula: | C24 H26 N6 O S |
| Smiles: | Cc1ccc(CNC(CSC2=Nc3c(C(=N)N2c2cc(C)ccc2C)c(C)n[nH]3)=O)cc1 |
| Stereo: | ACHIRAL |
| logP: | 3.8836 |
| logD: | -1.1232 |
| logSw: | -4.1364 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 76.939 |
| InChI Key: | KVHZYHRVPRBYLR-UHFFFAOYSA-N |