methyl 4-[(2-{[(4,5-diphenyl-4H-1,2,4-triazol-3-yl)sulfanyl]acetyl}hydrazinylidene)methyl]benzoate
Chemical Structure Depiction of
methyl 4-[(2-{[(4,5-diphenyl-4H-1,2,4-triazol-3-yl)sulfanyl]acetyl}hydrazinylidene)methyl]benzoate
methyl 4-[(2-{[(4,5-diphenyl-4H-1,2,4-triazol-3-yl)sulfanyl]acetyl}hydrazinylidene)methyl]benzoate
Compound characteristics
| Compound ID: | 2357-3497 |
| Compound Name: | methyl 4-[(2-{[(4,5-diphenyl-4H-1,2,4-triazol-3-yl)sulfanyl]acetyl}hydrazinylidene)methyl]benzoate |
| Molecular Weight: | 471.54 |
| Molecular Formula: | C25 H21 N5 O3 S |
| Smiles: | COC(c1ccc(/C=N/NC(CSc2nnc(c3ccccc3)n2c2ccccc2)=O)cc1)=O |
| Stereo: | ACHIRAL |
| logP: | 4.4757 |
| logD: | 4.4755 |
| logSw: | -4.2809 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 81.26 |
| InChI Key: | IGWGUNNBLIIWQN-UHFFFAOYSA-N |