N-butyl-N-ethyl-2-{[5-(4-ethylphenyl)-4-imino-3-methyl-4,5-dihydro-1H-pyrazolo[3,4-d]pyrimidin-6-yl]sulfanyl}acetamide
Chemical Structure Depiction of
N-butyl-N-ethyl-2-{[5-(4-ethylphenyl)-4-imino-3-methyl-4,5-dihydro-1H-pyrazolo[3,4-d]pyrimidin-6-yl]sulfanyl}acetamide
N-butyl-N-ethyl-2-{[5-(4-ethylphenyl)-4-imino-3-methyl-4,5-dihydro-1H-pyrazolo[3,4-d]pyrimidin-6-yl]sulfanyl}acetamide
Compound characteristics
| Compound ID: | K898-0655 |
| Compound Name: | N-butyl-N-ethyl-2-{[5-(4-ethylphenyl)-4-imino-3-methyl-4,5-dihydro-1H-pyrazolo[3,4-d]pyrimidin-6-yl]sulfanyl}acetamide |
| Molecular Weight: | 426.58 |
| Molecular Formula: | C22 H30 N6 O S |
| Smiles: | CCCCN(CC)C(CSC1=Nc2c(C(=N)N1c1ccc(CC)cc1)c(C)n[nH]2)=O |
| Stereo: | ACHIRAL |
| logP: | 3.8156 |
| logD: | -0.453 |
| logSw: | -3.9372 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 68.699 |
| InChI Key: | ATTVRSVWFZDZFR-UHFFFAOYSA-N |