4-[(4-chlorophenyl)methyl]-1-ethyl-6-[(4-fluorophenyl)methyl]-3-methyl-1H-pyrazolo[4,3-d]pyrimidine-5,7(4H,6H)-dione
Chemical Structure Depiction of
4-[(4-chlorophenyl)methyl]-1-ethyl-6-[(4-fluorophenyl)methyl]-3-methyl-1H-pyrazolo[4,3-d]pyrimidine-5,7(4H,6H)-dione
4-[(4-chlorophenyl)methyl]-1-ethyl-6-[(4-fluorophenyl)methyl]-3-methyl-1H-pyrazolo[4,3-d]pyrimidine-5,7(4H,6H)-dione
Compound characteristics
| Compound ID: | E961-1083 |
| Compound Name: | 4-[(4-chlorophenyl)methyl]-1-ethyl-6-[(4-fluorophenyl)methyl]-3-methyl-1H-pyrazolo[4,3-d]pyrimidine-5,7(4H,6H)-dione |
| Molecular Weight: | 426.88 |
| Molecular Formula: | C22 H20 Cl F N4 O2 |
| Smiles: | CCn1c2C(N(Cc3ccc(cc3)F)C(N(Cc3ccc(cc3)[Cl])c2c(C)n1)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.1385 |
| logD: | 4.1385 |
| logSw: | -4.3624 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 46.343 |
| InChI Key: | PUIRIOOTMPGOSQ-UHFFFAOYSA-N |