N-(1,3-benzothiazol-2-yl)-1-[(4-methylphenyl)methyl]-1H-benzotriazole-5-carboxamide
Chemical Structure Depiction of
N-(1,3-benzothiazol-2-yl)-1-[(4-methylphenyl)methyl]-1H-benzotriazole-5-carboxamide
N-(1,3-benzothiazol-2-yl)-1-[(4-methylphenyl)methyl]-1H-benzotriazole-5-carboxamide
Compound characteristics
| Compound ID: | L455-0621 |
| Compound Name: | N-(1,3-benzothiazol-2-yl)-1-[(4-methylphenyl)methyl]-1H-benzotriazole-5-carboxamide |
| Molecular Weight: | 399.47 |
| Molecular Formula: | C22 H17 N5 O S |
| Smiles: | Cc1ccc(Cn2c3ccc(cc3nn2)C(Nc2nc3ccccc3s2)=O)cc1 |
| Stereo: | ACHIRAL |
| logP: | 4.6897 |
| logD: | 4.6877 |
| logSw: | -4.4108 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 58.517 |
| InChI Key: | CUPYJSFZTZIEFF-UHFFFAOYSA-N |