(3-chloro-4-fluorophenyl)[4-(3-phenyl-1H-pyrazol-5-yl)-1,4-diazepan-1-yl]methanone
Chemical Structure Depiction of
(3-chloro-4-fluorophenyl)[4-(3-phenyl-1H-pyrazol-5-yl)-1,4-diazepan-1-yl]methanone
(3-chloro-4-fluorophenyl)[4-(3-phenyl-1H-pyrazol-5-yl)-1,4-diazepan-1-yl]methanone
Compound characteristics
| Compound ID: | P803-0908 |
| Compound Name: | (3-chloro-4-fluorophenyl)[4-(3-phenyl-1H-pyrazol-5-yl)-1,4-diazepan-1-yl]methanone |
| Molecular Weight: | 398.87 |
| Molecular Formula: | C21 H20 Cl F N4 O |
| Smiles: | C1CN(CCN(C1)c1cc(c2ccccc2)n[nH]1)C(c1ccc(c(c1)[Cl])F)=O |
| Stereo: | ACHIRAL |
| logP: | 3.9942 |
| logD: | 3.9942 |
| logSw: | -4.5156 |
| Hydrogen bond acceptors count: | 3 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 42.431 |
| InChI Key: | IWRCMRAMROCOME-UHFFFAOYSA-N |