methyl 5-[(2H-1,3-benzodioxol-5-yl)carbamamido]-3-(2-methylpropoxy)-1-benzothiophene-2-carboxylate
Chemical Structure Depiction of
methyl 5-[(2H-1,3-benzodioxol-5-yl)carbamamido]-3-(2-methylpropoxy)-1-benzothiophene-2-carboxylate
methyl 5-[(2H-1,3-benzodioxol-5-yl)carbamamido]-3-(2-methylpropoxy)-1-benzothiophene-2-carboxylate
Compound characteristics
| Compound ID: | L311-0427 |
| Compound Name: | methyl 5-[(2H-1,3-benzodioxol-5-yl)carbamamido]-3-(2-methylpropoxy)-1-benzothiophene-2-carboxylate |
| Molecular Weight: | 442.49 |
| Molecular Formula: | C22 H22 N2 O6 S |
| Smiles: | CC(C)COc1c2cc(ccc2sc1C(=O)OC)NC(Nc1ccc2c(c1)OCO2)=O |
| Stereo: | ACHIRAL |
| logP: | 5.778 |
| logD: | 5.778 |
| logSw: | -5.6747 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 79.25 |
| InChI Key: | YHBGDKDNDPARSR-UHFFFAOYSA-N |