{4-[6-(3-chloro-4-fluorophenoxy)pyrimidin-4-yl]-1,4-diazepan-1-yl}(4-methoxyphenyl)methanone
Chemical Structure Depiction of
{4-[6-(3-chloro-4-fluorophenoxy)pyrimidin-4-yl]-1,4-diazepan-1-yl}(4-methoxyphenyl)methanone
{4-[6-(3-chloro-4-fluorophenoxy)pyrimidin-4-yl]-1,4-diazepan-1-yl}(4-methoxyphenyl)methanone
Compound characteristics
| Compound ID: | V027-7941 |
| Compound Name: | {4-[6-(3-chloro-4-fluorophenoxy)pyrimidin-4-yl]-1,4-diazepan-1-yl}(4-methoxyphenyl)methanone |
| Molecular Weight: | 456.9 |
| Molecular Formula: | C23 H22 Cl F N4 O3 |
| Salt: | not_available |
| Smiles: | COc1ccc(cc1)C(N1CCCN(CC1)c1cc(ncn1)Oc1ccc(c(c1)[Cl])F)=O |
| Stereo: | ACHIRAL |
| logP: | 4.1503 |
| logD: | 4.1503 |
| logSw: | -4.5568 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 53.943 |
| InChI Key: | BUWAUNTUZRUCFW-UHFFFAOYSA-N |