methyl 5-[(2H-1,3-benzodioxol-5-yl)carbamamido]-3-propoxy-1-benzothiophene-2-carboxylate
Chemical Structure Depiction of
methyl 5-[(2H-1,3-benzodioxol-5-yl)carbamamido]-3-propoxy-1-benzothiophene-2-carboxylate
methyl 5-[(2H-1,3-benzodioxol-5-yl)carbamamido]-3-propoxy-1-benzothiophene-2-carboxylate
Compound characteristics
| Compound ID: | L311-0153 |
| Compound Name: | methyl 5-[(2H-1,3-benzodioxol-5-yl)carbamamido]-3-propoxy-1-benzothiophene-2-carboxylate |
| Molecular Weight: | 428.46 |
| Molecular Formula: | C21 H20 N2 O6 S |
| Smiles: | CCCOc1c2cc(ccc2sc1C(=O)OC)NC(Nc1ccc2c(c1)OCO2)=O |
| Stereo: | ACHIRAL |
| logP: | 5.2915 |
| logD: | 5.2915 |
| logSw: | -5.4872 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 79.169 |
| InChI Key: | NNKJMNVKZSMWQR-UHFFFAOYSA-N |