N-[3-(4-cyclohexylpiperazin-1-yl)propyl]-4-({4-[(3-methylphenyl)methyl]-3-oxo-3,4-dihydro-2H-1,4-benzoxazin-2-ylidene}methyl)benzamide
Chemical Structure Depiction of
N-[3-(4-cyclohexylpiperazin-1-yl)propyl]-4-({4-[(3-methylphenyl)methyl]-3-oxo-3,4-dihydro-2H-1,4-benzoxazin-2-ylidene}methyl)benzamide
N-[3-(4-cyclohexylpiperazin-1-yl)propyl]-4-({4-[(3-methylphenyl)methyl]-3-oxo-3,4-dihydro-2H-1,4-benzoxazin-2-ylidene}methyl)benzamide
Compound characteristics
| Compound ID: | C700-0307 |
| Compound Name: | N-[3-(4-cyclohexylpiperazin-1-yl)propyl]-4-({4-[(3-methylphenyl)methyl]-3-oxo-3,4-dihydro-2H-1,4-benzoxazin-2-ylidene}methyl)benzamide |
| Molecular Weight: | 592.78 |
| Molecular Formula: | C37 H44 N4 O3 |
| Smiles: | Cc1cccc(CN2C(/C(=C\c3ccc(cc3)C(NCCCN3CCN(CC3)C3CCCCC3)=O)Oc3ccccc23)=O)c1 |
| Stereo: | ACHIRAL |
| logP: | 6.1059 |
| logD: | 5.1956 |
| logSw: | -5.2874 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 54.363 |
| InChI Key: | OKPYRTOHCIKCLU-UHFFFAOYSA-N |