methyl 5-[(2,3-dihydro-1,4-benzodioxin-6-yl)carbamamido]-3-ethoxy-1-benzothiophene-2-carboxylate
Chemical Structure Depiction of
methyl 5-[(2,3-dihydro-1,4-benzodioxin-6-yl)carbamamido]-3-ethoxy-1-benzothiophene-2-carboxylate
methyl 5-[(2,3-dihydro-1,4-benzodioxin-6-yl)carbamamido]-3-ethoxy-1-benzothiophene-2-carboxylate
Compound characteristics
| Compound ID: | L311-0060 |
| Compound Name: | methyl 5-[(2,3-dihydro-1,4-benzodioxin-6-yl)carbamamido]-3-ethoxy-1-benzothiophene-2-carboxylate |
| Molecular Weight: | 428.46 |
| Molecular Formula: | C21 H20 N2 O6 S |
| Smiles: | CCOc1c2cc(ccc2sc1C(=O)OC)NC(Nc1ccc2c(c1)OCCO2)=O |
| Stereo: | ACHIRAL |
| logP: | 3.99 |
| logD: | 3.99 |
| logSw: | -4.1197 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 77.582 |
| InChI Key: | YSDVHTHCIUTHAM-UHFFFAOYSA-N |