4-[(3-oxo-2,3-dihydro-4H-1,4-benzoxazin-4-yl)methyl]-N-pentylbenzamide
Chemical Structure Depiction of
4-[(3-oxo-2,3-dihydro-4H-1,4-benzoxazin-4-yl)methyl]-N-pentylbenzamide
4-[(3-oxo-2,3-dihydro-4H-1,4-benzoxazin-4-yl)methyl]-N-pentylbenzamide
Compound characteristics
| Compound ID: | V003-0895 |
| Compound Name: | 4-[(3-oxo-2,3-dihydro-4H-1,4-benzoxazin-4-yl)methyl]-N-pentylbenzamide |
| Molecular Weight: | 352.43 |
| Molecular Formula: | C21 H24 N2 O3 |
| Smiles: | CCCCCNC(c1ccc(CN2C(COc3ccccc23)=O)cc1)=O |
| Stereo: | ACHIRAL |
| logP: | 3.4606 |
| logD: | 3.4606 |
| logSw: | -3.5736 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 48.595 |
| InChI Key: | YBRHFJDWNSRONC-UHFFFAOYSA-N |