(4-{5-[(3-fluorophenyl)methyl]-2,6-dimethylpyrimidin-4-yl}-1,4-diazepan-1-yl)(4-methoxyphenyl)methanone
Chemical Structure Depiction of
(4-{5-[(3-fluorophenyl)methyl]-2,6-dimethylpyrimidin-4-yl}-1,4-diazepan-1-yl)(4-methoxyphenyl)methanone
(4-{5-[(3-fluorophenyl)methyl]-2,6-dimethylpyrimidin-4-yl}-1,4-diazepan-1-yl)(4-methoxyphenyl)methanone
Compound characteristics
| Compound ID: | V031-0123 |
| Compound Name: | (4-{5-[(3-fluorophenyl)methyl]-2,6-dimethylpyrimidin-4-yl}-1,4-diazepan-1-yl)(4-methoxyphenyl)methanone |
| Molecular Weight: | 448.54 |
| Molecular Formula: | C26 H29 F N4 O2 |
| Salt: | not_available |
| Smiles: | Cc1c(Cc2cccc(c2)F)c(nc(C)n1)N1CCCN(CC1)C(c1ccc(cc1)OC)=O |
| Stereo: | ACHIRAL |
| logP: | 4.5121 |
| logD: | 4.4231 |
| logSw: | -4.4845 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 46.444 |
| InChI Key: | YBOCHMLYBHFFGD-UHFFFAOYSA-N |