ethyl 4-{[1-(2-methyl-2,3-dihydro-4H-1,4-benzoxazine-4-carbonyl)piperidine-4-carbonyl]amino}benzoate
Chemical Structure Depiction of
ethyl 4-{[1-(2-methyl-2,3-dihydro-4H-1,4-benzoxazine-4-carbonyl)piperidine-4-carbonyl]amino}benzoate
ethyl 4-{[1-(2-methyl-2,3-dihydro-4H-1,4-benzoxazine-4-carbonyl)piperidine-4-carbonyl]amino}benzoate
Compound characteristics
| Compound ID: | E216-0603 |
| Compound Name: | ethyl 4-{[1-(2-methyl-2,3-dihydro-4H-1,4-benzoxazine-4-carbonyl)piperidine-4-carbonyl]amino}benzoate |
| Molecular Weight: | 451.52 |
| Molecular Formula: | C25 H29 N3 O5 |
| Smiles: | CCOC(c1ccc(cc1)NC(C1CCN(CC1)C(N1CC(C)Oc2ccccc12)=O)=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.889 |
| logD: | 3.8886 |
| logSw: | -3.8959 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 68.25 |
| InChI Key: | ACJVXORWWXQGAP-QGZVFWFLSA-N |