N-[3-(azepan-1-yl)propyl]-4-({4-[(4-methylphenyl)methyl]-3-oxo-3,4-dihydro-2H-1,4-benzoxazin-2-ylidene}methyl)benzamide
Chemical Structure Depiction of
N-[3-(azepan-1-yl)propyl]-4-({4-[(4-methylphenyl)methyl]-3-oxo-3,4-dihydro-2H-1,4-benzoxazin-2-ylidene}methyl)benzamide
N-[3-(azepan-1-yl)propyl]-4-({4-[(4-methylphenyl)methyl]-3-oxo-3,4-dihydro-2H-1,4-benzoxazin-2-ylidene}methyl)benzamide
Compound characteristics
| Compound ID: | K788-5739 |
| Compound Name: | N-[3-(azepan-1-yl)propyl]-4-({4-[(4-methylphenyl)methyl]-3-oxo-3,4-dihydro-2H-1,4-benzoxazin-2-ylidene}methyl)benzamide |
| Molecular Weight: | 523.68 |
| Molecular Formula: | C33 H37 N3 O3 |
| Smiles: | Cc1ccc(CN2C(/C(=C\c3ccc(cc3)C(NCCCN3CCCCCC3)=O)Oc3ccccc23)=O)cc1 |
| Stereo: | ACHIRAL |
| logP: | 5.7333 |
| logD: | 3.1626 |
| logSw: | -5.3056 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 51.601 |
| InChI Key: | UDNPAPNZELJRHL-UHFFFAOYSA-N |