5-methyl-1-(3-phenyl-2,1-benzoxazol-5-yl)-N'-(4,5,6,7-tetrahydro-1-benzothiophene-3-carbonyl)-1H-1,2,3-triazole-4-carbohydrazide
Chemical Structure Depiction of
5-methyl-1-(3-phenyl-2,1-benzoxazol-5-yl)-N'-(4,5,6,7-tetrahydro-1-benzothiophene-3-carbonyl)-1H-1,2,3-triazole-4-carbohydrazide
5-methyl-1-(3-phenyl-2,1-benzoxazol-5-yl)-N'-(4,5,6,7-tetrahydro-1-benzothiophene-3-carbonyl)-1H-1,2,3-triazole-4-carbohydrazide
Compound characteristics
| Compound ID: | D443-2013 |
| Compound Name: | 5-methyl-1-(3-phenyl-2,1-benzoxazol-5-yl)-N'-(4,5,6,7-tetrahydro-1-benzothiophene-3-carbonyl)-1H-1,2,3-triazole-4-carbohydrazide |
| Molecular Weight: | 498.56 |
| Molecular Formula: | C26 H22 N6 O3 S |
| Smiles: | Cc1c(C(NNC(c2csc3CCCCc23)=O)=O)nnn1c1ccc2c(c1)c(c1ccccc1)on2 |
| Stereo: | ACHIRAL |
| logP: | 4.676 |
| logD: | 4.6675 |
| logSw: | -4.4518 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 100.7 |
| InChI Key: | SNJAPYBVNGFLNV-UHFFFAOYSA-N |