N-[(3-bromophenyl)methyl]-4-(2,6-dimethyl-2,3-dihydro-4H-1,4-benzoxazin-4-yl)-4-oxobutanamide
Chemical Structure Depiction of
N-[(3-bromophenyl)methyl]-4-(2,6-dimethyl-2,3-dihydro-4H-1,4-benzoxazin-4-yl)-4-oxobutanamide
N-[(3-bromophenyl)methyl]-4-(2,6-dimethyl-2,3-dihydro-4H-1,4-benzoxazin-4-yl)-4-oxobutanamide
Compound characteristics
| Compound ID: | E015-0903 |
| Compound Name: | N-[(3-bromophenyl)methyl]-4-(2,6-dimethyl-2,3-dihydro-4H-1,4-benzoxazin-4-yl)-4-oxobutanamide |
| Molecular Weight: | 431.33 |
| Molecular Formula: | C21 H23 Br N2 O3 |
| Smiles: | CC1CN(C(CCC(NCc2cccc(c2)[Br])=O)=O)c2cc(C)ccc2O1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.7035 |
| logD: | 3.7035 |
| logSw: | -3.9255 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 46.544 |
| InChI Key: | OPVGFAYLXKJGCK-OAHLLOKOSA-N |