methyl 2-{2-[2-methoxy-4-(prop-2-en-1-yl)phenoxy]acetamido}-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Chemical Structure Depiction of
methyl 2-{2-[2-methoxy-4-(prop-2-en-1-yl)phenoxy]acetamido}-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
methyl 2-{2-[2-methoxy-4-(prop-2-en-1-yl)phenoxy]acetamido}-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Compound characteristics
| Compound ID: | Y500-5139 |
| Compound Name: | methyl 2-{2-[2-methoxy-4-(prop-2-en-1-yl)phenoxy]acetamido}-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate |
| Molecular Weight: | 415.51 |
| Molecular Formula: | C22 H25 N O5 S |
| Smiles: | COC(c1c2CCCCc2sc1NC(COc1ccc(CC=C)cc1OC)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.3056 |
| logD: | 2.1237 |
| logSw: | -4.5713 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 59.221 |
| InChI Key: | LJVCCPOSAAXPII-UHFFFAOYSA-N |