propan-2-yl 2-[3-(2H-1,3-benzodioxol-5-yl)prop-2-enamido]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Chemical Structure Depiction of
propan-2-yl 2-[3-(2H-1,3-benzodioxol-5-yl)prop-2-enamido]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
propan-2-yl 2-[3-(2H-1,3-benzodioxol-5-yl)prop-2-enamido]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Compound characteristics
| Compound ID: | Y500-0764 |
| Compound Name: | propan-2-yl 2-[3-(2H-1,3-benzodioxol-5-yl)prop-2-enamido]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate |
| Molecular Weight: | 413.49 |
| Molecular Formula: | C22 H23 N O5 S |
| Smiles: | CC(C)OC(c1c2CCCCc2sc1NC(/C=C/c1ccc2c(c1)OCO2)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 5.4385 |
| logD: | 3.2621 |
| logSw: | -5.4862 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 60.379 |
| InChI Key: | CKICOCADGIXUEP-UHFFFAOYSA-N |