{4-[6-(3-chloro-4-fluorophenoxy)pyrimidin-4-yl]-1,4-diazepan-1-yl}(4-chlorophenyl)methanone
Chemical Structure Depiction of
{4-[6-(3-chloro-4-fluorophenoxy)pyrimidin-4-yl]-1,4-diazepan-1-yl}(4-chlorophenyl)methanone
{4-[6-(3-chloro-4-fluorophenoxy)pyrimidin-4-yl]-1,4-diazepan-1-yl}(4-chlorophenyl)methanone
Compound characteristics
| Compound ID: | V027-5906 |
| Compound Name: | {4-[6-(3-chloro-4-fluorophenoxy)pyrimidin-4-yl]-1,4-diazepan-1-yl}(4-chlorophenyl)methanone |
| Molecular Weight: | 461.32 |
| Molecular Formula: | C22 H19 Cl2 F N4 O2 |
| Salt: | not_available |
| Smiles: | C1CN(CCN(C1)c1cc(ncn1)Oc1ccc(c(c1)[Cl])F)C(c1ccc(cc1)[Cl])=O |
| Stereo: | ACHIRAL |
| logP: | 4.7627 |
| logD: | 4.7627 |
| logSw: | -4.9551 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 46.4 |
| InChI Key: | AUVWBVXABAKFPP-UHFFFAOYSA-N |