N-[2-(3-chloro-4-methoxyphenyl)-2H-benzotriazol-5-yl]-4-cyano-2-fluorobenzamide
Chemical Structure Depiction of
N-[2-(3-chloro-4-methoxyphenyl)-2H-benzotriazol-5-yl]-4-cyano-2-fluorobenzamide
N-[2-(3-chloro-4-methoxyphenyl)-2H-benzotriazol-5-yl]-4-cyano-2-fluorobenzamide
Compound characteristics
Compound ID: | 8170-0445 |
Compound Name: | N-[2-(3-chloro-4-methoxyphenyl)-2H-benzotriazol-5-yl]-4-cyano-2-fluorobenzamide |
Molecular Weight: | 421.82 |
Molecular Formula: | C21 H13 Cl F N5 O2 |
Smiles: | COc1ccc(cc1[Cl])n1nc2ccc(cc2n1)NC(c1ccc(C#N)cc1F)=O |
Stereo: | ACHIRAL |
logP: | 4.6647 |
logD: | 4.3203 |
logSw: | -4.9577 |
Hydrogen bond acceptors count: | 6 |
Hydrogen bond donors count: | 1 |
Polar surface area: | 72.05 |
InChI Key: | WAZPYRFPKFFHGF-UHFFFAOYSA-N |