2-{[(2H-1,3-benzodioxol-5-yl)methylidene]amino}-N-benzyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
Chemical Structure Depiction of
2-{[(2H-1,3-benzodioxol-5-yl)methylidene]amino}-N-benzyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
2-{[(2H-1,3-benzodioxol-5-yl)methylidene]amino}-N-benzyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
Compound characteristics
| Compound ID: | 8009-5335 |
| Compound Name: | 2-{[(2H-1,3-benzodioxol-5-yl)methylidene]amino}-N-benzyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide |
| Molecular Weight: | 418.51 |
| Molecular Formula: | C24 H22 N2 O3 S |
| Smiles: | C1CCc2c(C1)c(C(NCc1ccccc1)=O)c(/N=C\c1ccc3c(c1)OCO3)s2 |
| Stereo: | ACHIRAL |
| logP: | 5.0636 |
| logD: | 5.0634 |
| logSw: | -5.0455 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 49.61 |
| InChI Key: | BMIGTXYIXHJPND-UHFFFAOYSA-N |