1-[4-(5-benzyl-6-ethyl-2-methylpyrimidin-4-yl)-1,4-diazepan-1-yl]octan-1-one
Chemical Structure Depiction of
1-[4-(5-benzyl-6-ethyl-2-methylpyrimidin-4-yl)-1,4-diazepan-1-yl]octan-1-one
1-[4-(5-benzyl-6-ethyl-2-methylpyrimidin-4-yl)-1,4-diazepan-1-yl]octan-1-one
Compound characteristics
| Compound ID: | V031-0124 |
| Compound Name: | 1-[4-(5-benzyl-6-ethyl-2-methylpyrimidin-4-yl)-1,4-diazepan-1-yl]octan-1-one |
| Molecular Weight: | 436.64 |
| Molecular Formula: | C27 H40 N4 O |
| Salt: | not_available |
| Smiles: | CCCCCCCC(N1CCCN(CC1)c1c(Cc2ccccc2)c(CC)nc(C)n1)=O |
| Stereo: | ACHIRAL |
| logP: | 6.4549 |
| logD: | 6.3452 |
| logSw: | -5.564 |
| Hydrogen bond acceptors count: | 4 |
| Polar surface area: | 39.333 |
| InChI Key: | DSOAEGFXJHEDBD-UHFFFAOYSA-N |