N-[(2-bromophenyl)methyl]-4-(6-methyl-2,3-dihydro-4H-1,4-benzoxazin-4-yl)-4-oxobutanamide
Chemical Structure Depiction of
N-[(2-bromophenyl)methyl]-4-(6-methyl-2,3-dihydro-4H-1,4-benzoxazin-4-yl)-4-oxobutanamide
N-[(2-bromophenyl)methyl]-4-(6-methyl-2,3-dihydro-4H-1,4-benzoxazin-4-yl)-4-oxobutanamide
Compound characteristics
| Compound ID: | E015-1208 |
| Compound Name: | N-[(2-bromophenyl)methyl]-4-(6-methyl-2,3-dihydro-4H-1,4-benzoxazin-4-yl)-4-oxobutanamide |
| Molecular Weight: | 417.3 |
| Molecular Formula: | C20 H21 Br N2 O3 |
| Smiles: | Cc1ccc2c(c1)N(CCO2)C(CCC(NCc1ccccc1[Br])=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.4242 |
| logD: | 3.4242 |
| logSw: | -3.5778 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 47.447 |
| InChI Key: | NNJBTERQSQYCCW-UHFFFAOYSA-N |