N-[3-(benzylamino)-1-(4-methoxyphenyl)-3-oxoprop-1-en-2-yl]-4-nitrobenzamide
Chemical Structure Depiction of
N-[3-(benzylamino)-1-(4-methoxyphenyl)-3-oxoprop-1-en-2-yl]-4-nitrobenzamide
N-[3-(benzylamino)-1-(4-methoxyphenyl)-3-oxoprop-1-en-2-yl]-4-nitrobenzamide
Compound characteristics
Compound ID: | 1502-1388 |
Compound Name: | N-[3-(benzylamino)-1-(4-methoxyphenyl)-3-oxoprop-1-en-2-yl]-4-nitrobenzamide |
Molecular Weight: | 431.45 |
Molecular Formula: | C24 H21 N3 O5 |
Smiles: | COc1ccc(\C=C(/C(NCc2ccccc2)=O)NC(c2ccc(cc2)[N+]([O-])=O)=O)cc1 |
Stereo: | ACHIRAL |
logP: | 3.8561 |
logD: | 3.0015 |
logSw: | -4.1633 |
Hydrogen bond acceptors count: | 9 |
Hydrogen bond donors count: | 2 |
Polar surface area: | 87.502 |
InChI Key: | DDIOCCBYEJSFQN-UHFFFAOYSA-N |