ethyl 2-{[N-(4-chlorobenzene-1-sulfonyl)-beta-alanyl]amino}-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Chemical Structure Depiction of
ethyl 2-{[N-(4-chlorobenzene-1-sulfonyl)-beta-alanyl]amino}-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
ethyl 2-{[N-(4-chlorobenzene-1-sulfonyl)-beta-alanyl]amino}-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Compound characteristics
| Compound ID: | 1991-1119 |
| Compound Name: | ethyl 2-{[N-(4-chlorobenzene-1-sulfonyl)-beta-alanyl]amino}-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate |
| Molecular Weight: | 470.99 |
| Molecular Formula: | C20 H23 Cl N2 O5 S2 |
| Smiles: | CCOC(c1c2CCCCc2sc1NC(CCNS(c1ccc(cc1)[Cl])(=O)=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.2055 |
| logD: | 1.2625 |
| logSw: | -4.7892 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 85.456 |
| InChI Key: | XIJPMPPKVVQKHE-UHFFFAOYSA-N |