1-{4-[6-(3-chloro-4-fluorophenoxy)pyrimidin-4-yl]-1,4-diazepan-1-yl}pentan-1-one
Chemical Structure Depiction of
1-{4-[6-(3-chloro-4-fluorophenoxy)pyrimidin-4-yl]-1,4-diazepan-1-yl}pentan-1-one
1-{4-[6-(3-chloro-4-fluorophenoxy)pyrimidin-4-yl]-1,4-diazepan-1-yl}pentan-1-one
Compound characteristics
| Compound ID: | V028-1467 |
| Compound Name: | 1-{4-[6-(3-chloro-4-fluorophenoxy)pyrimidin-4-yl]-1,4-diazepan-1-yl}pentan-1-one |
| Molecular Weight: | 406.89 |
| Molecular Formula: | C20 H24 Cl F N4 O2 |
| Smiles: | CCCCC(N1CCCN(CC1)c1cc(ncn1)Oc1ccc(c(c1)[Cl])F)=O |
| Stereo: | ACHIRAL |
| logP: | 4.1812 |
| logD: | 4.1811 |
| logSw: | -4.5246 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 46.144 |
| InChI Key: | JXVPWWNJWXKOPV-UHFFFAOYSA-N |