4-[2-(azepan-1-yl)-2-oxoethyl]-1-ethyl-3-methyl-6-(2-phenylethyl)-1H-pyrazolo[4,3-d]pyrimidine-5,7(4H,6H)-dione
Chemical Structure Depiction of
4-[2-(azepan-1-yl)-2-oxoethyl]-1-ethyl-3-methyl-6-(2-phenylethyl)-1H-pyrazolo[4,3-d]pyrimidine-5,7(4H,6H)-dione
4-[2-(azepan-1-yl)-2-oxoethyl]-1-ethyl-3-methyl-6-(2-phenylethyl)-1H-pyrazolo[4,3-d]pyrimidine-5,7(4H,6H)-dione
Compound characteristics
| Compound ID: | E961-0922 |
| Compound Name: | 4-[2-(azepan-1-yl)-2-oxoethyl]-1-ethyl-3-methyl-6-(2-phenylethyl)-1H-pyrazolo[4,3-d]pyrimidine-5,7(4H,6H)-dione |
| Molecular Weight: | 437.54 |
| Molecular Formula: | C24 H31 N5 O3 |
| Smiles: | CCn1c2C(N(CCc3ccccc3)C(N(CC(N3CCCCCC3)=O)c2c(C)n1)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.4991 |
| logD: | 2.4991 |
| logSw: | -2.306 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 63.045 |
| InChI Key: | OIKUMCRSVACBRK-UHFFFAOYSA-N |