methyl 2-{2-[4-(propan-2-yl)phenoxy]acetamido}-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Chemical Structure Depiction of
methyl 2-{2-[4-(propan-2-yl)phenoxy]acetamido}-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
methyl 2-{2-[4-(propan-2-yl)phenoxy]acetamido}-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Compound characteristics
| Compound ID: | 2279-5176 |
| Compound Name: | methyl 2-{2-[4-(propan-2-yl)phenoxy]acetamido}-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate |
| Molecular Weight: | 387.5 |
| Molecular Formula: | C21 H25 N O4 S |
| Smiles: | CC(C)c1ccc(cc1)OCC(Nc1c(C(=O)OC)c2CCCCc2s1)=O |
| Stereo: | ACHIRAL |
| logP: | 5.1028 |
| logD: | 2.921 |
| logSw: | -5.0074 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 51.504 |
| InChI Key: | XNNNWSNTMUDFTR-UHFFFAOYSA-N |