N-[2-(4-chlorophenyl)ethyl]-4-({4-[(3-fluorophenyl)methyl]-3-oxo-3,4-dihydro-2H-1,4-benzoxazin-2-ylidene}methyl)benzamide
Chemical Structure Depiction of
N-[2-(4-chlorophenyl)ethyl]-4-({4-[(3-fluorophenyl)methyl]-3-oxo-3,4-dihydro-2H-1,4-benzoxazin-2-ylidene}methyl)benzamide
N-[2-(4-chlorophenyl)ethyl]-4-({4-[(3-fluorophenyl)methyl]-3-oxo-3,4-dihydro-2H-1,4-benzoxazin-2-ylidene}methyl)benzamide
Compound characteristics
| Compound ID: | C307-0127 |
| Compound Name: | N-[2-(4-chlorophenyl)ethyl]-4-({4-[(3-fluorophenyl)methyl]-3-oxo-3,4-dihydro-2H-1,4-benzoxazin-2-ylidene}methyl)benzamide |
| Molecular Weight: | 526.99 |
| Molecular Formula: | C31 H24 Cl F N2 O3 |
| Smiles: | C(CNC(c1ccc(/C=C2/C(N(Cc3cccc(c3)F)c3ccccc3O2)=O)cc1)=O)c1ccc(cc1)[Cl] |
| Stereo: | ACHIRAL |
| logP: | 6.1619 |
| logD: | 6.1619 |
| logSw: | -6.4147 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 47.288 |
| InChI Key: | TXYYPEBHLUSVDX-UHFFFAOYSA-N |