N-[(1-ethylpyrrolidin-2-yl)methyl]-4-({4-[(3-methylphenyl)methyl]-3-oxo-3,4-dihydro-2H-1,4-benzoxazin-2-ylidene}methyl)benzamide
Chemical Structure Depiction of
N-[(1-ethylpyrrolidin-2-yl)methyl]-4-({4-[(3-methylphenyl)methyl]-3-oxo-3,4-dihydro-2H-1,4-benzoxazin-2-ylidene}methyl)benzamide
N-[(1-ethylpyrrolidin-2-yl)methyl]-4-({4-[(3-methylphenyl)methyl]-3-oxo-3,4-dihydro-2H-1,4-benzoxazin-2-ylidene}methyl)benzamide
Compound characteristics
| Compound ID: | C700-0334 |
| Compound Name: | N-[(1-ethylpyrrolidin-2-yl)methyl]-4-({4-[(3-methylphenyl)methyl]-3-oxo-3,4-dihydro-2H-1,4-benzoxazin-2-ylidene}methyl)benzamide |
| Molecular Weight: | 495.62 |
| Molecular Formula: | C31 H33 N3 O3 |
| Smiles: | CCN1CCCC1CNC(c1ccc(\C=C2/C(N(Cc3cccc(C)c3)c3ccccc3O2)=O)cc1)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 5.1534 |
| logD: | 4.613 |
| logSw: | -5.005 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 51.353 |
| InChI Key: | KXTHRFIBIWNSHG-AREMUKBSSA-N |