2-({3-[(1H-benzotriazol-1-yl)methyl]-4-methoxyphenyl}methylidene)-3,4-dihydronaphthalen-1(2H)-one
Chemical Structure Depiction of
2-({3-[(1H-benzotriazol-1-yl)methyl]-4-methoxyphenyl}methylidene)-3,4-dihydronaphthalen-1(2H)-one
2-({3-[(1H-benzotriazol-1-yl)methyl]-4-methoxyphenyl}methylidene)-3,4-dihydronaphthalen-1(2H)-one
Compound characteristics
Compound ID: | 4333-5820 |
Compound Name: | 2-({3-[(1H-benzotriazol-1-yl)methyl]-4-methoxyphenyl}methylidene)-3,4-dihydronaphthalen-1(2H)-one |
Molecular Weight: | 395.46 |
Molecular Formula: | C25 H21 N3 O2 |
Smiles: | COc1ccc(\C=C2/CCc3ccccc3C2=O)cc1Cn1c2ccccc2nn1 |
Stereo: | ACHIRAL |
logP: | 4.7388 |
logD: | 4.7388 |
logSw: | -4.5942 |
Hydrogen bond acceptors count: | 5 |
Polar surface area: | 46.09 |
InChI Key: | ORKDDNHAHLVDKG-UHFFFAOYSA-N |