N-[3-(4-ethylpiperazin-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-ethylpiperazin-1-yl)propyl]-4-({4-[(3-methylphenyl)methyl]-3-oxo-3,4-dihydro-2H-1,4-benzoxazin-2-ylidene}methyl)benzamide
N-[3-(4-ethylpiperazin-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: | C700-0317 |
| Compound Name: | N-[3-(4-ethylpiperazin-1-yl)propyl]-4-({4-[(3-methylphenyl)methyl]-3-oxo-3,4-dihydro-2H-1,4-benzoxazin-2-ylidene}methyl)benzamide |
| Molecular Weight: | 538.69 |
| Molecular Formula: | C33 H38 N4 O3 |
| Smiles: | CCN1CCN(CCCNC(c2ccc(\C=C3/C(N(Cc4cccc(C)c4)c4ccccc4O3)=O)cc2)=O)CC1 |
| Stereo: | ACHIRAL |
| logP: | 4.6116 |
| logD: | 3.6634 |
| logSw: | -4.1487 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 54.807 |
| InChI Key: | BBLGALJJIGEANG-UHFFFAOYSA-N |