N-(1,3-benzothiazol-2-yl)-1-[(4-methoxyphenyl)methyl]-1H-benzotriazole-5-carboxamide
Chemical Structure Depiction of
N-(1,3-benzothiazol-2-yl)-1-[(4-methoxyphenyl)methyl]-1H-benzotriazole-5-carboxamide
N-(1,3-benzothiazol-2-yl)-1-[(4-methoxyphenyl)methyl]-1H-benzotriazole-5-carboxamide
Compound characteristics
| Compound ID: | L455-0065 |
| Compound Name: | N-(1,3-benzothiazol-2-yl)-1-[(4-methoxyphenyl)methyl]-1H-benzotriazole-5-carboxamide |
| Molecular Weight: | 415.47 |
| Molecular Formula: | C22 H17 N5 O2 S |
| Smiles: | COc1ccc(Cn2c3ccc(cc3nn2)C(Nc2nc3ccccc3s2)=O)cc1 |
| Stereo: | ACHIRAL |
| logP: | 4.2486 |
| logD: | 4.2467 |
| logSw: | -4.3472 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 66.061 |
| InChI Key: | DIGJRSWTJNUUOZ-UHFFFAOYSA-N |