N-[(2H-1,3-benzodioxol-5-yl)methyl]-4-({4-[(3-fluorophenyl)methyl]-3-oxo-3,4-dihydro-2H-1,4-benzoxazin-2-ylidene}methyl)benzamide
Chemical Structure Depiction of
N-[(2H-1,3-benzodioxol-5-yl)methyl]-4-({4-[(3-fluorophenyl)methyl]-3-oxo-3,4-dihydro-2H-1,4-benzoxazin-2-ylidene}methyl)benzamide
N-[(2H-1,3-benzodioxol-5-yl)methyl]-4-({4-[(3-fluorophenyl)methyl]-3-oxo-3,4-dihydro-2H-1,4-benzoxazin-2-ylidene}methyl)benzamide
Compound characteristics
| Compound ID: | C307-0138 |
| Compound Name: | N-[(2H-1,3-benzodioxol-5-yl)methyl]-4-({4-[(3-fluorophenyl)methyl]-3-oxo-3,4-dihydro-2H-1,4-benzoxazin-2-ylidene}methyl)benzamide |
| Molecular Weight: | 522.53 |
| Molecular Formula: | C31 H23 F N2 O5 |
| Smiles: | C(c1ccc2c(c1)OCO2)NC(c1ccc(/C=C2/C(N(Cc3cccc(c3)F)c3ccccc3O2)=O)cc1)=O |
| Stereo: | ACHIRAL |
| logP: | 5.5467 |
| logD: | 5.5467 |
| logSw: | -5.9301 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 64.562 |
| InChI Key: | INIMZLWNHQWNAC-UHFFFAOYSA-N |