2-(5-{[(1H-benzimidazol-2-yl)sulfanyl]methyl}-2-ethoxyphenyl)-2H-benzotriazole
Chemical Structure Depiction of
2-(5-{[(1H-benzimidazol-2-yl)sulfanyl]methyl}-2-ethoxyphenyl)-2H-benzotriazole
2-(5-{[(1H-benzimidazol-2-yl)sulfanyl]methyl}-2-ethoxyphenyl)-2H-benzotriazole
Compound characteristics
| Compound ID: | 8016-5989 |
| Compound Name: | 2-(5-{[(1H-benzimidazol-2-yl)sulfanyl]methyl}-2-ethoxyphenyl)-2H-benzotriazole |
| Molecular Weight: | 401.49 |
| Molecular Formula: | C22 H19 N5 O S |
| Smiles: | CCOc1ccc(CSc2nc3ccccc3[nH]2)cc1n1nc2ccccc2n1 |
| Stereo: | ACHIRAL |
| logP: | 5.0109 |
| logD: | 5.0018 |
| logSw: | -4.6373 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 48.924 |
| InChI Key: | MKLHJSGGBUYXKT-UHFFFAOYSA-N |