1-{4-[2,6-dimethyl-5-(propan-2-yl)pyrimidin-4-yl]-1,4-diazepan-1-yl}dodecan-1-one
Chemical Structure Depiction of
1-{4-[2,6-dimethyl-5-(propan-2-yl)pyrimidin-4-yl]-1,4-diazepan-1-yl}dodecan-1-one
1-{4-[2,6-dimethyl-5-(propan-2-yl)pyrimidin-4-yl]-1,4-diazepan-1-yl}dodecan-1-one
Compound characteristics
| Compound ID: | V015-8903 |
| Compound Name: | 1-{4-[2,6-dimethyl-5-(propan-2-yl)pyrimidin-4-yl]-1,4-diazepan-1-yl}dodecan-1-one |
| Molecular Weight: | 430.68 |
| Molecular Formula: | C26 H46 N4 O |
| Salt: | not_available |
| Smiles: | CCCCCCCCCCCC(N1CCCN(CC1)c1c(C(C)C)c(C)nc(C)n1)=O |
| Stereo: | ACHIRAL |
| logP: | 7.2447 |
| logD: | 7.1345 |
| logSw: | -5.6173 |
| Hydrogen bond acceptors count: | 4 |
| Polar surface area: | 38.916 |
| InChI Key: | XPNOMNCYUUWDNH-UHFFFAOYSA-N |