N-[(3-bromophenyl)methyl]-1-(2,3-dihydro-4H-1,4-benzoxazine-4-carbonyl)piperidine-4-carboxamide
Chemical Structure Depiction of
N-[(3-bromophenyl)methyl]-1-(2,3-dihydro-4H-1,4-benzoxazine-4-carbonyl)piperidine-4-carboxamide
N-[(3-bromophenyl)methyl]-1-(2,3-dihydro-4H-1,4-benzoxazine-4-carbonyl)piperidine-4-carboxamide
Compound characteristics
| Compound ID: | E216-1037 |
| Compound Name: | N-[(3-bromophenyl)methyl]-1-(2,3-dihydro-4H-1,4-benzoxazine-4-carbonyl)piperidine-4-carboxamide |
| Molecular Weight: | 458.35 |
| Molecular Formula: | C22 H24 Br N3 O3 |
| Smiles: | C1CN(CCC1C(NCc1cccc(c1)[Br])=O)C(N1CCOc2ccccc12)=O |
| Stereo: | ACHIRAL |
| logP: | 3.4166 |
| logD: | 3.4166 |
| logSw: | -3.5047 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 49.722 |
| InChI Key: | YUWWPJADUFGDBV-UHFFFAOYSA-N |