2-[4-(2,5-dimethylphenyl)piperazine-1-carbonyl]-5-[(3-fluorophenyl)methyl]-5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepin-4-one
Chemical Structure Depiction of
2-[4-(2,5-dimethylphenyl)piperazine-1-carbonyl]-5-[(3-fluorophenyl)methyl]-5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepin-4-one
2-[4-(2,5-dimethylphenyl)piperazine-1-carbonyl]-5-[(3-fluorophenyl)methyl]-5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepin-4-one
Compound characteristics
| Compound ID: | G542-2055 |
| Compound Name: | 2-[4-(2,5-dimethylphenyl)piperazine-1-carbonyl]-5-[(3-fluorophenyl)methyl]-5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepin-4-one |
| Molecular Weight: | 475.57 |
| Molecular Formula: | C27 H30 F N5 O2 |
| Smiles: | Cc1ccc(C)c(c1)N1CCN(CC1)C(c1cc2C(N(CCCn2n1)Cc1cccc(c1)F)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.9244 |
| logD: | 3.9244 |
| logSw: | -3.898 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 49.989 |
| InChI Key: | DMMRDHXGCTULRL-UHFFFAOYSA-N |