N-[2-(cyclohex-1-en-1-yl)ethyl]-2-{1-ethyl-6-[(3-methoxyphenyl)methyl]-3-methyl-5,7-dioxo-1,5,6,7-tetrahydro-4H-pyrazolo[4,3-d]pyrimidin-4-yl}acetamide
Chemical Structure Depiction of
N-[2-(cyclohex-1-en-1-yl)ethyl]-2-{1-ethyl-6-[(3-methoxyphenyl)methyl]-3-methyl-5,7-dioxo-1,5,6,7-tetrahydro-4H-pyrazolo[4,3-d]pyrimidin-4-yl}acetamide
N-[2-(cyclohex-1-en-1-yl)ethyl]-2-{1-ethyl-6-[(3-methoxyphenyl)methyl]-3-methyl-5,7-dioxo-1,5,6,7-tetrahydro-4H-pyrazolo[4,3-d]pyrimidin-4-yl}acetamide
Compound characteristics
| Compound ID: | C200-5973 |
| Compound Name: | N-[2-(cyclohex-1-en-1-yl)ethyl]-2-{1-ethyl-6-[(3-methoxyphenyl)methyl]-3-methyl-5,7-dioxo-1,5,6,7-tetrahydro-4H-pyrazolo[4,3-d]pyrimidin-4-yl}acetamide |
| Molecular Weight: | 479.58 |
| Molecular Formula: | C26 H33 N5 O4 |
| Smiles: | CCn1c2C(N(Cc3cccc(c3)OC)C(N(CC(NCCC3CCCCC=3)=O)c2c(C)n1)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.6989 |
| logD: | 2.6989 |
| logSw: | -2.8501 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 78.392 |
| InChI Key: | WHDMQZLANLMMHK-UHFFFAOYSA-N |