N-[2-(cyclohex-1-en-1-yl)ethyl]-2-{[2-ethyl-7-oxo-6-(2-phenylethyl)-6,7-dihydro-2H-pyrazolo[4,3-d]pyrimidin-5-yl]sulfanyl}acetamide
Chemical Structure Depiction of
N-[2-(cyclohex-1-en-1-yl)ethyl]-2-{[2-ethyl-7-oxo-6-(2-phenylethyl)-6,7-dihydro-2H-pyrazolo[4,3-d]pyrimidin-5-yl]sulfanyl}acetamide
N-[2-(cyclohex-1-en-1-yl)ethyl]-2-{[2-ethyl-7-oxo-6-(2-phenylethyl)-6,7-dihydro-2H-pyrazolo[4,3-d]pyrimidin-5-yl]sulfanyl}acetamide
Compound characteristics
| Compound ID: | G020-0155 |
| Compound Name: | N-[2-(cyclohex-1-en-1-yl)ethyl]-2-{[2-ethyl-7-oxo-6-(2-phenylethyl)-6,7-dihydro-2H-pyrazolo[4,3-d]pyrimidin-5-yl]sulfanyl}acetamide |
| Molecular Weight: | 465.62 |
| Molecular Formula: | C25 H31 N5 O2 S |
| Smiles: | CCn1cc2c(C(N(CCc3ccccc3)C(=N2)SCC(NCCC2CCCCC=2)=O)=O)n1 |
| Stereo: | ACHIRAL |
| logP: | 3.0802 |
| logD: | 3.0802 |
| logSw: | -3.2753 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 65.394 |
| InChI Key: | GDUQMYNBVCFKON-UHFFFAOYSA-N |