N-butyl-N-ethyl-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-butyl-N-ethyl-2-{[4-imino-5-(3-methoxyphenyl)-3-methyl-4,5-dihydro-1H-pyrazolo[3,4-d]pyrimidin-6-yl]sulfanyl}acetamide
N-butyl-N-ethyl-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: | K898-0424 |
| Compound Name: | N-butyl-N-ethyl-2-{[4-imino-5-(3-methoxyphenyl)-3-methyl-4,5-dihydro-1H-pyrazolo[3,4-d]pyrimidin-6-yl]sulfanyl}acetamide |
| Molecular Weight: | 428.56 |
| Molecular Formula: | C21 H28 N6 O2 S |
| Smiles: | CCCCN(CC)C(CSC1=Nc2c(C(=N)N1c1cccc(c1)OC)c(C)n[nH]2)=O |
| Stereo: | ACHIRAL |
| logP: | 3.0488 |
| logD: | -1.096 |
| logSw: | -3.3344 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 76.242 |
| InChI Key: | USZRXVAWVFWTLZ-UHFFFAOYSA-N |