4-[2-(azepan-1-yl)-2-oxoethyl]-1-ethyl-6-[(4-fluorophenyl)methyl]-3-methyl-1H-pyrazolo[4,3-d]pyrimidine-5,7(4H,6H)-dione
Chemical Structure Depiction of
4-[2-(azepan-1-yl)-2-oxoethyl]-1-ethyl-6-[(4-fluorophenyl)methyl]-3-methyl-1H-pyrazolo[4,3-d]pyrimidine-5,7(4H,6H)-dione
4-[2-(azepan-1-yl)-2-oxoethyl]-1-ethyl-6-[(4-fluorophenyl)methyl]-3-methyl-1H-pyrazolo[4,3-d]pyrimidine-5,7(4H,6H)-dione
Compound characteristics
| Compound ID: | E961-1116 |
| Compound Name: | 4-[2-(azepan-1-yl)-2-oxoethyl]-1-ethyl-6-[(4-fluorophenyl)methyl]-3-methyl-1H-pyrazolo[4,3-d]pyrimidine-5,7(4H,6H)-dione |
| Molecular Weight: | 441.5 |
| Molecular Formula: | C23 H28 F N5 O3 |
| Smiles: | CCn1c2C(N(Cc3ccc(cc3)F)C(N(CC(N3CCCCCC3)=O)c2c(C)n1)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.374 |
| logD: | 2.374 |
| logSw: | -2.4268 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 63.067 |
| InChI Key: | FDKCOBQPAZAKPM-UHFFFAOYSA-N |