4-({4-[(4-methylphenyl)methyl]-3-oxo-3,4-dihydro-2H-1,4-benzoxazin-2-ylidene}methyl)-N-[3-(4-methylpiperazin-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-(4-methylpiperazin-1-yl)propyl]benzamide
4-({4-[(4-methylphenyl)methyl]-3-oxo-3,4-dihydro-2H-1,4-benzoxazin-2-ylidene}methyl)-N-[3-(4-methylpiperazin-1-yl)propyl]benzamide
Compound characteristics
| Compound ID: | K788-5759 |
| Compound Name: | 4-({4-[(4-methylphenyl)methyl]-3-oxo-3,4-dihydro-2H-1,4-benzoxazin-2-ylidene}methyl)-N-[3-(4-methylpiperazin-1-yl)propyl]benzamide |
| Molecular Weight: | 524.66 |
| Molecular Formula: | C32 H36 N4 O3 |
| Smiles: | Cc1ccc(CN2C(/C(=C\c3ccc(cc3)C(NCCCN3CCN(C)CC3)=O)Oc3ccccc23)=O)cc1 |
| Stereo: | ACHIRAL |
| logP: | 4.0437 |
| logD: | 2.8934 |
| logSw: | -4.1028 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 54.747 |
| InChI Key: | VRHHFYMCGUXOLU-UHFFFAOYSA-N |