ethyl 2-acetamido-7-{[(3,4,5-trimethoxybenzoyl)oxy]imino}-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Chemical Structure Depiction of
ethyl 2-acetamido-7-{[(3,4,5-trimethoxybenzoyl)oxy]imino}-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
ethyl 2-acetamido-7-{[(3,4,5-trimethoxybenzoyl)oxy]imino}-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Compound characteristics
| Compound ID: | 4506-0342 |
| Compound Name: | ethyl 2-acetamido-7-{[(3,4,5-trimethoxybenzoyl)oxy]imino}-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate |
| Molecular Weight: | 490.53 |
| Molecular Formula: | C23 H26 N2 O8 S |
| Smiles: | CCOC(c1c2CCC\C(c2sc1NC(C)=O)=N/OC(c1cc(c(c(c1)OC)OC)OC)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.9018 |
| logD: | 2.0721 |
| logSw: | -3.3441 |
| Hydrogen bond acceptors count: | 12 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 98.27 |
| InChI Key: | QHMPULKEKSEUOE-UHFFFAOYSA-N |