N-[(3-bromophenyl)methyl]-1-(2-methyl-2,3-dihydro-4H-1,4-benzoxazine-4-carbonyl)piperidine-3-carboxamide
Chemical Structure Depiction of
N-[(3-bromophenyl)methyl]-1-(2-methyl-2,3-dihydro-4H-1,4-benzoxazine-4-carbonyl)piperidine-3-carboxamide
N-[(3-bromophenyl)methyl]-1-(2-methyl-2,3-dihydro-4H-1,4-benzoxazine-4-carbonyl)piperidine-3-carboxamide
Compound characteristics
| Compound ID: | E216-3749 |
| Compound Name: | N-[(3-bromophenyl)methyl]-1-(2-methyl-2,3-dihydro-4H-1,4-benzoxazine-4-carbonyl)piperidine-3-carboxamide |
| Molecular Weight: | 472.38 |
| Molecular Formula: | C23 H26 Br N3 O3 |
| Smiles: | CC1CN(C(N2CCCC(C2)C(NCc2cccc(c2)[Br])=O)=O)c2ccccc2O1 |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 3.756 |
| logD: | 3.756 |
| logSw: | -3.9062 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 48.752 |
| InChI Key: | SLLVXTAUDMFPRN-UHFFFAOYSA-N |