ethyl 2-{[N-(2-hydroxyethyl)-N-methyl-beta-alanyl]amino}-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Chemical Structure Depiction of
ethyl 2-{[N-(2-hydroxyethyl)-N-methyl-beta-alanyl]amino}-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
ethyl 2-{[N-(2-hydroxyethyl)-N-methyl-beta-alanyl]amino}-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Compound characteristics
| Compound ID: | 8755-0217 |
| Compound Name: | ethyl 2-{[N-(2-hydroxyethyl)-N-methyl-beta-alanyl]amino}-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate |
| Molecular Weight: | 354.47 |
| Molecular Formula: | C17 H26 N2 O4 S |
| Smiles: | CCOC(c1c2CCCCc2sc1NC(CCN(C)CCO)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 1.6666 |
| logD: | 1.6666 |
| logSw: | -2.1163 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 64.585 |
| InChI Key: | CUQCSNVAKQZKGL-UHFFFAOYSA-N |