N-[(3-bromophenyl)methyl]-4-(2-methyl-2,3-dihydro-4H-1,4-benzoxazin-4-yl)-4-oxobutanamide
Chemical Structure Depiction of
N-[(3-bromophenyl)methyl]-4-(2-methyl-2,3-dihydro-4H-1,4-benzoxazin-4-yl)-4-oxobutanamide
N-[(3-bromophenyl)methyl]-4-(2-methyl-2,3-dihydro-4H-1,4-benzoxazin-4-yl)-4-oxobutanamide
Compound characteristics
| Compound ID: | E015-1511 |
| Compound Name: | N-[(3-bromophenyl)methyl]-4-(2-methyl-2,3-dihydro-4H-1,4-benzoxazin-4-yl)-4-oxobutanamide |
| Molecular Weight: | 417.3 |
| Molecular Formula: | C20 H21 Br N2 O3 |
| Smiles: | CC1CN(C(CCC(NCc2cccc(c2)[Br])=O)=O)c2ccccc2O1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.2128 |
| logD: | 3.2128 |
| logSw: | -3.5401 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 46.544 |
| InChI Key: | ICKIGHSDTYBXMW-CQSZACIVSA-N |