3-[(6-acetyl-3-oxo-2,3-dihydro-4H-1,4-benzoxazin-4-yl)methyl]-N-pentylbenzamide
Chemical Structure Depiction of
3-[(6-acetyl-3-oxo-2,3-dihydro-4H-1,4-benzoxazin-4-yl)methyl]-N-pentylbenzamide
3-[(6-acetyl-3-oxo-2,3-dihydro-4H-1,4-benzoxazin-4-yl)methyl]-N-pentylbenzamide
Compound characteristics
| Compound ID: | V017-0422 |
| Compound Name: | 3-[(6-acetyl-3-oxo-2,3-dihydro-4H-1,4-benzoxazin-4-yl)methyl]-N-pentylbenzamide |
| Molecular Weight: | 394.47 |
| Molecular Formula: | C23 H26 N2 O4 |
| Smiles: | CCCCCNC(c1cccc(CN2C(COc3ccc(cc23)C(C)=O)=O)c1)=O |
| Stereo: | ACHIRAL |
| logP: | 3.0421 |
| logD: | 3.0421 |
| logSw: | -3.2445 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 62.421 |
| InChI Key: | YHCJAKIYKHAVIQ-UHFFFAOYSA-N |