ethyl 2-acetamido-7-{[(4-bromobenzoyl)oxy]imino}-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Chemical Structure Depiction of
ethyl 2-acetamido-7-{[(4-bromobenzoyl)oxy]imino}-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
ethyl 2-acetamido-7-{[(4-bromobenzoyl)oxy]imino}-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Compound characteristics
| Compound ID: | 8008-4604 |
| Compound Name: | ethyl 2-acetamido-7-{[(4-bromobenzoyl)oxy]imino}-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate |
| Molecular Weight: | 479.35 |
| Molecular Formula: | C20 H19 Br N2 O5 S |
| Smiles: | CCOC(c1c2CCC\C(c2sc1NC(C)=O)=N/OC(c1ccc(cc1)[Br])=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.3043 |
| logD: | 3.4746 |
| logSw: | -4.4256 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 75.292 |
| InChI Key: | JTMMJMQCHTVFDW-UHFFFAOYSA-N |