2-{[5-(4-chloro-3-methylphenyl)-4-imino-3-methyl-4,5-dihydro-2H-pyrazolo[3,4-d]pyrimidin-6-yl]sulfanyl}-N-[(thiophen-2-yl)methyl]acetamide
Chemical Structure Depiction of
2-{[5-(4-chloro-3-methylphenyl)-4-imino-3-methyl-4,5-dihydro-2H-pyrazolo[3,4-d]pyrimidin-6-yl]sulfanyl}-N-[(thiophen-2-yl)methyl]acetamide
2-{[5-(4-chloro-3-methylphenyl)-4-imino-3-methyl-4,5-dihydro-2H-pyrazolo[3,4-d]pyrimidin-6-yl]sulfanyl}-N-[(thiophen-2-yl)methyl]acetamide
Compound characteristics
| Compound ID: | K781-6512 |
| Compound Name: | 2-{[5-(4-chloro-3-methylphenyl)-4-imino-3-methyl-4,5-dihydro-2H-pyrazolo[3,4-d]pyrimidin-6-yl]sulfanyl}-N-[(thiophen-2-yl)methyl]acetamide |
| Molecular Weight: | 458.99 |
| Molecular Formula: | C20 H19 Cl N6 O S2 |
| Smiles: | Cc1cc(ccc1[Cl])N1C(c2c(N=C1SCC(NCc1cccs1)=O)n[nH]c2C)=N |
| Stereo: | ACHIRAL |
| logP: | 4.1493 |
| logD: | -0.7844 |
| logSw: | -4.6316 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 78.258 |
| InChI Key: | DGXOZQCCGYNLML-UHFFFAOYSA-N |