N-[2-(3,4-dimethoxyphenyl)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-(3,4-dimethoxyphenyl)ethyl]-4-({4-[(2-fluorophenyl)methyl]-3-oxo-3,4-dihydro-2H-1,4-benzoxazin-2-ylidene}methyl)benzamide
N-[2-(3,4-dimethoxyphenyl)ethyl]-4-({4-[(2-fluorophenyl)methyl]-3-oxo-3,4-dihydro-2H-1,4-benzoxazin-2-ylidene}methyl)benzamide
Compound characteristics
| Compound ID: | C307-0013 |
| Compound Name: | N-[2-(3,4-dimethoxyphenyl)ethyl]-4-({4-[(2-fluorophenyl)methyl]-3-oxo-3,4-dihydro-2H-1,4-benzoxazin-2-ylidene}methyl)benzamide |
| Molecular Weight: | 552.6 |
| Molecular Formula: | C33 H29 F N2 O5 |
| Smiles: | COc1ccc(CCNC(c2ccc(/C=C3/C(N(Cc4ccccc4F)c4ccccc4O3)=O)cc2)=O)cc1OC |
| Stereo: | ACHIRAL |
| logP: | 5.1025 |
| logD: | 5.1025 |
| logSw: | -4.903 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 62.548 |
| InChI Key: | TWTAZUBZCIEULV-UHFFFAOYSA-N |