N-[3-(azepan-1-yl)propyl]-1-(2-ethyl-2,3-dihydro-4H-1,4-benzoxazine-4-carbonyl)piperidine-4-carboxamide
Chemical Structure Depiction of
N-[3-(azepan-1-yl)propyl]-1-(2-ethyl-2,3-dihydro-4H-1,4-benzoxazine-4-carbonyl)piperidine-4-carboxamide
N-[3-(azepan-1-yl)propyl]-1-(2-ethyl-2,3-dihydro-4H-1,4-benzoxazine-4-carbonyl)piperidine-4-carboxamide
Compound characteristics
| Compound ID: | E216-5555 |
| Compound Name: | N-[3-(azepan-1-yl)propyl]-1-(2-ethyl-2,3-dihydro-4H-1,4-benzoxazine-4-carbonyl)piperidine-4-carboxamide |
| Molecular Weight: | 456.63 |
| Molecular Formula: | C26 H40 N4 O3 |
| Smiles: | CCC1CN(C(N2CCC(CC2)C(NCCCN2CCCCCC2)=O)=O)c2ccccc2O1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.3955 |
| logD: | 0.7669 |
| logSw: | -3.5384 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 53.168 |
| InChI Key: | ZVAJDEPZVSHUCY-JOCHJYFZSA-N |