N-(2,3-dimethylcyclohexyl)-4-[(Z)-{4-[(2-fluorophenyl)methyl]-3-oxo-3,4-dihydro-2H-1,4-benzoxazin-2-ylidene}methyl]benzamide
Chemical Structure Depiction of
N-(2,3-dimethylcyclohexyl)-4-[(Z)-{4-[(2-fluorophenyl)methyl]-3-oxo-3,4-dihydro-2H-1,4-benzoxazin-2-ylidene}methyl]benzamide
N-(2,3-dimethylcyclohexyl)-4-[(Z)-{4-[(2-fluorophenyl)methyl]-3-oxo-3,4-dihydro-2H-1,4-benzoxazin-2-ylidene}methyl]benzamide
Compound characteristics
| Compound ID: | C307-0032 |
| Compound Name: | N-(2,3-dimethylcyclohexyl)-4-[(Z)-{4-[(2-fluorophenyl)methyl]-3-oxo-3,4-dihydro-2H-1,4-benzoxazin-2-ylidene}methyl]benzamide |
| Molecular Weight: | 498.6 |
| Molecular Formula: | C31 H31 F N2 O3 |
| Smiles: | CC1CCCC(C1C)NC(c1ccc(/C=C2/C(N(Cc3ccccc3F)c3ccccc3O2)=O)cc1)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 6.077 |
| logD: | 6.077 |
| logSw: | -5.5963 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 47.562 |
| InChI Key: | MLRUPQVVBAPADZ-UHFFFAOYSA-N |