{4-[6-(3-chloro-4-fluorophenoxy)pyrimidin-4-yl]-1,4-diazepan-1-yl}(furan-2-yl)methanone
Chemical Structure Depiction of
{4-[6-(3-chloro-4-fluorophenoxy)pyrimidin-4-yl]-1,4-diazepan-1-yl}(furan-2-yl)methanone
{4-[6-(3-chloro-4-fluorophenoxy)pyrimidin-4-yl]-1,4-diazepan-1-yl}(furan-2-yl)methanone
Compound characteristics
| Compound ID: | V027-9639 |
| Compound Name: | {4-[6-(3-chloro-4-fluorophenoxy)pyrimidin-4-yl]-1,4-diazepan-1-yl}(furan-2-yl)methanone |
| Molecular Weight: | 416.84 |
| Molecular Formula: | C20 H18 Cl F N4 O3 |
| Salt: | not_available |
| Smiles: | C1CN(CCN(C1)c1cc(ncn1)Oc1ccc(c(c1)[Cl])F)C(c1ccco1)=O |
| Stereo: | ACHIRAL |
| logP: | 3.5848 |
| logD: | 3.5848 |
| logSw: | -3.8121 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 54.978 |
| InChI Key: | QQWFBIHRERLESS-UHFFFAOYSA-N |