N-(2-chlorophenyl)-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-(2-chlorophenyl)-2-{[4-imino-5-(3-methoxyphenyl)-3-methyl-4,5-dihydro-1H-pyrazolo[3,4-d]pyrimidin-6-yl]sulfanyl}acetamide
N-(2-chlorophenyl)-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: | K898-0406 |
| Compound Name: | N-(2-chlorophenyl)-2-{[4-imino-5-(3-methoxyphenyl)-3-methyl-4,5-dihydro-1H-pyrazolo[3,4-d]pyrimidin-6-yl]sulfanyl}acetamide |
| Molecular Weight: | 454.94 |
| Molecular Formula: | C21 H19 Cl N6 O2 S |
| Smiles: | Cc1c2C(=N)N(C(=Nc2[nH]n1)SCC(Nc1ccccc1[Cl])=O)c1cccc(c1)OC |
| Stereo: | ACHIRAL |
| logP: | 2.9583 |
| logD: | -1.1865 |
| logSw: | -3.6669 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 82.764 |
| InChI Key: | XMGXNTRLDMGNNG-UHFFFAOYSA-N |