4-({4-[(4-methylphenyl)methyl]-3-oxo-3,4-dihydro-2H-1,4-benzoxazin-2-ylidene}methyl)-N-[3-(pyrrolidin-1-yl)propyl]benzamide
Chemical Structure Depiction of
4-({4-[(4-methylphenyl)methyl]-3-oxo-3,4-dihydro-2H-1,4-benzoxazin-2-ylidene}methyl)-N-[3-(pyrrolidin-1-yl)propyl]benzamide
4-({4-[(4-methylphenyl)methyl]-3-oxo-3,4-dihydro-2H-1,4-benzoxazin-2-ylidene}methyl)-N-[3-(pyrrolidin-1-yl)propyl]benzamide
Compound characteristics
| Compound ID: | K788-5686 |
| Compound Name: | 4-({4-[(4-methylphenyl)methyl]-3-oxo-3,4-dihydro-2H-1,4-benzoxazin-2-ylidene}methyl)-N-[3-(pyrrolidin-1-yl)propyl]benzamide |
| Molecular Weight: | 495.62 |
| Molecular Formula: | C31 H33 N3 O3 |
| Smiles: | Cc1ccc(CN2C(/C(=C\c3ccc(cc3)C(NCCCN3CCCC3)=O)Oc3ccccc23)=O)cc1 |
| Stereo: | ACHIRAL |
| logP: | 4.873 |
| logD: | 1.8406 |
| logSw: | -4.4505 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 51.636 |
| InChI Key: | CCWBHGXRQDVLIU-UHFFFAOYSA-N |