1-[(4-methoxyphenyl)methyl]-N-[3-(methylsulfanyl)phenyl]-1H-benzotriazole-5-carboxamide
Chemical Structure Depiction of
1-[(4-methoxyphenyl)methyl]-N-[3-(methylsulfanyl)phenyl]-1H-benzotriazole-5-carboxamide
1-[(4-methoxyphenyl)methyl]-N-[3-(methylsulfanyl)phenyl]-1H-benzotriazole-5-carboxamide
Compound characteristics
| Compound ID: | L455-0087 |
| Compound Name: | 1-[(4-methoxyphenyl)methyl]-N-[3-(methylsulfanyl)phenyl]-1H-benzotriazole-5-carboxamide |
| Molecular Weight: | 404.49 |
| Molecular Formula: | C22 H20 N4 O2 S |
| Smiles: | COc1ccc(Cn2c3ccc(cc3nn2)C(Nc2cccc(c2)SC)=O)cc1 |
| Stereo: | ACHIRAL |
| logP: | 3.8403 |
| logD: | 3.8401 |
| logSw: | -4.1278 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 56.299 |
| InChI Key: | HSGAVEQOTFGZBU-UHFFFAOYSA-N |