N-{2-[benzyl(propan-2-yl)amino]ethyl}-4-({4-[(2-fluorophenyl)methyl]-3-oxo-3,4-dihydro-2H-1,4-benzoxazin-2-ylidene}methyl)benzamide
Chemical Structure Depiction of
N-{2-[benzyl(propan-2-yl)amino]ethyl}-4-({4-[(2-fluorophenyl)methyl]-3-oxo-3,4-dihydro-2H-1,4-benzoxazin-2-ylidene}methyl)benzamide
N-{2-[benzyl(propan-2-yl)amino]ethyl}-4-({4-[(2-fluorophenyl)methyl]-3-oxo-3,4-dihydro-2H-1,4-benzoxazin-2-ylidene}methyl)benzamide
Compound characteristics
| Compound ID: | K788-6845 |
| Compound Name: | N-{2-[benzyl(propan-2-yl)amino]ethyl}-4-({4-[(2-fluorophenyl)methyl]-3-oxo-3,4-dihydro-2H-1,4-benzoxazin-2-ylidene}methyl)benzamide |
| Molecular Weight: | 563.67 |
| Molecular Formula: | C35 H34 F N3 O3 |
| Smiles: | CC(C)N(CCNC(c1ccc(/C=C2/C(N(Cc3ccccc3F)c3ccccc3O2)=O)cc1)=O)Cc1ccccc1 |
| Stereo: | ACHIRAL |
| logP: | 6.2009 |
| logD: | 5.7244 |
| logSw: | -5.6575 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 50.885 |
| InChI Key: | CHSIMEXDAZOJAR-UHFFFAOYSA-N |