methyl 4-{[2-(4,5,6,7-tetrahydro-1-benzothiophene-3-carbonyl)hydrazinylidene]methyl}benzoate
Chemical Structure Depiction of
methyl 4-{[2-(4,5,6,7-tetrahydro-1-benzothiophene-3-carbonyl)hydrazinylidene]methyl}benzoate
methyl 4-{[2-(4,5,6,7-tetrahydro-1-benzothiophene-3-carbonyl)hydrazinylidene]methyl}benzoate
Compound characteristics
| Compound ID: | Y509-0241 |
| Compound Name: | methyl 4-{[2-(4,5,6,7-tetrahydro-1-benzothiophene-3-carbonyl)hydrazinylidene]methyl}benzoate |
| Molecular Weight: | 342.41 |
| Molecular Formula: | C18 H18 N2 O3 S |
| Smiles: | COC(c1ccc(/C=N/NC(c2csc3CCCCc23)=O)cc1)=O |
| Stereo: | ACHIRAL |
| logP: | 3.9168 |
| logD: | 3.9148 |
| logSw: | -4.0812 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 57.667 |
| InChI Key: | BFGCBWCNLIUFKA-UHFFFAOYSA-N |