4-(6-chloro-2,3-dihydro-4H-1,4-benzoxazin-4-yl)-N-[(3,4-dimethoxyphenyl)methyl]-4-oxobutanamide
Chemical Structure Depiction of
4-(6-chloro-2,3-dihydro-4H-1,4-benzoxazin-4-yl)-N-[(3,4-dimethoxyphenyl)methyl]-4-oxobutanamide
4-(6-chloro-2,3-dihydro-4H-1,4-benzoxazin-4-yl)-N-[(3,4-dimethoxyphenyl)methyl]-4-oxobutanamide
Compound characteristics
| Compound ID: | E015-0294 |
| Compound Name: | 4-(6-chloro-2,3-dihydro-4H-1,4-benzoxazin-4-yl)-N-[(3,4-dimethoxyphenyl)methyl]-4-oxobutanamide |
| Molecular Weight: | 418.88 |
| Molecular Formula: | C21 H23 Cl N2 O5 |
| Smiles: | COc1ccc(CNC(CCC(N2CCOc3ccc(cc23)[Cl])=O)=O)cc1OC |
| Stereo: | ACHIRAL |
| logP: | 2.2917 |
| logD: | 2.2917 |
| logSw: | -3.3651 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 62.707 |
| InChI Key: | BGBYLSZJFHPAPL-UHFFFAOYSA-N |