1-[4-(5-benzyl-6-ethyl-2-methylpyrimidin-4-yl)-1,4-diazepan-1-yl]-3,5,5-trimethylhexan-1-one
Chemical Structure Depiction of
1-[4-(5-benzyl-6-ethyl-2-methylpyrimidin-4-yl)-1,4-diazepan-1-yl]-3,5,5-trimethylhexan-1-one
1-[4-(5-benzyl-6-ethyl-2-methylpyrimidin-4-yl)-1,4-diazepan-1-yl]-3,5,5-trimethylhexan-1-one
Compound characteristics
| Compound ID: | V031-0077 |
| Compound Name: | 1-[4-(5-benzyl-6-ethyl-2-methylpyrimidin-4-yl)-1,4-diazepan-1-yl]-3,5,5-trimethylhexan-1-one |
| Molecular Weight: | 450.67 |
| Molecular Formula: | C28 H42 N4 O |
| Smiles: | CCc1c(Cc2ccccc2)c(nc(C)n1)N1CCCN(CC1)C(CC(C)CC(C)(C)C)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 6.2899 |
| logD: | 6.1802 |
| logSw: | -5.4311 |
| Hydrogen bond acceptors count: | 4 |
| Polar surface area: | 39.333 |
| InChI Key: | BVIAXYURPHBHJN-OAQYLSRUSA-N |