1-[(3-methoxyphenyl)methyl]-N-[3-(methylsulfanyl)phenyl]-1H-benzotriazole-5-carboxamide
Chemical Structure Depiction of
1-[(3-methoxyphenyl)methyl]-N-[3-(methylsulfanyl)phenyl]-1H-benzotriazole-5-carboxamide
1-[(3-methoxyphenyl)methyl]-N-[3-(methylsulfanyl)phenyl]-1H-benzotriazole-5-carboxamide
Compound characteristics
| Compound ID: | L455-0365 |
| Compound Name: | 1-[(3-methoxyphenyl)methyl]-N-[3-(methylsulfanyl)phenyl]-1H-benzotriazole-5-carboxamide |
| Molecular Weight: | 404.49 |
| Molecular Formula: | C22 H20 N4 O2 S |
| Smiles: | COc1cccc(Cn2c3ccc(cc3nn2)C(Nc2cccc(c2)SC)=O)c1 |
| Stereo: | ACHIRAL |
| logP: | 3.9133 |
| logD: | 3.9132 |
| logSw: | -4.1445 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 56.299 |
| InChI Key: | KNDJMAODZNMGBY-UHFFFAOYSA-N |