{4-[6-(3-chloro-4-fluorophenoxy)pyrimidin-4-yl]-1,4-diazepan-1-yl}(4-ethylphenyl)methanone
Chemical Structure Depiction of
{4-[6-(3-chloro-4-fluorophenoxy)pyrimidin-4-yl]-1,4-diazepan-1-yl}(4-ethylphenyl)methanone
{4-[6-(3-chloro-4-fluorophenoxy)pyrimidin-4-yl]-1,4-diazepan-1-yl}(4-ethylphenyl)methanone
Compound characteristics
| Compound ID: | V027-7940 |
| Compound Name: | {4-[6-(3-chloro-4-fluorophenoxy)pyrimidin-4-yl]-1,4-diazepan-1-yl}(4-ethylphenyl)methanone |
| Molecular Weight: | 454.93 |
| Molecular Formula: | C24 H24 Cl F N4 O2 |
| Salt: | not_available |
| Smiles: | CCc1ccc(cc1)C(N1CCCN(CC1)c1cc(ncn1)Oc1ccc(c(c1)[Cl])F)=O |
| Stereo: | ACHIRAL |
| logP: | 5.0986 |
| logD: | 5.0986 |
| logSw: | -5.6038 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 46.4 |
| InChI Key: | OQSQVTJYNPJXCB-UHFFFAOYSA-N |