6-(azepane-1-carbonyl)-4-benzyl-2H-1,4-benzoxazin-3(4H)-one
Chemical Structure Depiction of
6-(azepane-1-carbonyl)-4-benzyl-2H-1,4-benzoxazin-3(4H)-one
6-(azepane-1-carbonyl)-4-benzyl-2H-1,4-benzoxazin-3(4H)-one
Compound characteristics
| Compound ID: | F119-0042 |
| Compound Name: | 6-(azepane-1-carbonyl)-4-benzyl-2H-1,4-benzoxazin-3(4H)-one |
| Molecular Weight: | 364.44 |
| Molecular Formula: | C22 H24 N2 O3 |
| Smiles: | C1CCCN(CC1)C(c1ccc2c(c1)N(Cc1ccccc1)C(CO2)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.1732 |
| logD: | 3.1732 |
| logSw: | -3.3385 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 41.048 |
| InChI Key: | RIMRGMMRSJXSHX-UHFFFAOYSA-N |