1-{4-[6-(3-chloro-4-fluorophenoxy)pyrimidin-4-yl]-1,4-diazepan-1-yl}-2-ethylhexan-1-one
Chemical Structure Depiction of
1-{4-[6-(3-chloro-4-fluorophenoxy)pyrimidin-4-yl]-1,4-diazepan-1-yl}-2-ethylhexan-1-one
1-{4-[6-(3-chloro-4-fluorophenoxy)pyrimidin-4-yl]-1,4-diazepan-1-yl}-2-ethylhexan-1-one
Compound characteristics
| Compound ID: | V027-7916 |
| Compound Name: | 1-{4-[6-(3-chloro-4-fluorophenoxy)pyrimidin-4-yl]-1,4-diazepan-1-yl}-2-ethylhexan-1-one |
| Molecular Weight: | 448.97 |
| Molecular Formula: | C23 H30 Cl F N4 O2 |
| Salt: | not_available |
| Smiles: | CCCCC(CC)C(N1CCCN(CC1)c1cc(ncn1)Oc1ccc(c(c1)[Cl])F)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 5.6747 |
| logD: | 5.6747 |
| logSw: | -5.9145 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 46.671 |
| InChI Key: | VUWNNIXZXRXZCV-KRWDZBQOSA-N |