N,N-diethyl-2-{[4-imino-5-(4-methoxyphenyl)-3-methyl-4,5-dihydro-1H-pyrazolo[3,4-d]pyrimidin-6-yl]sulfanyl}acetamide
Chemical Structure Depiction of
N,N-diethyl-2-{[4-imino-5-(4-methoxyphenyl)-3-methyl-4,5-dihydro-1H-pyrazolo[3,4-d]pyrimidin-6-yl]sulfanyl}acetamide
N,N-diethyl-2-{[4-imino-5-(4-methoxyphenyl)-3-methyl-4,5-dihydro-1H-pyrazolo[3,4-d]pyrimidin-6-yl]sulfanyl}acetamide
Compound characteristics
| Compound ID: | K898-1257 |
| Compound Name: | N,N-diethyl-2-{[4-imino-5-(4-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: | CCN(CC)C(CSC1=Nc2c(C(=N)N1c1ccc(cc1)OC)c(C)n[nH]2)=O |
| Stereo: | ACHIRAL |
| logP: | 1.8694 |
| logD: | -2.3992 |
| logSw: | -2.422 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 75.989 |
| InChI Key: | PACYVLZISDJDSK-UHFFFAOYSA-N |