ethyl 2-{[N-(2-hydroxyethyl)-beta-alanyl]amino}-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Chemical Structure Depiction of
ethyl 2-{[N-(2-hydroxyethyl)-beta-alanyl]amino}-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
ethyl 2-{[N-(2-hydroxyethyl)-beta-alanyl]amino}-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Compound characteristics
| Compound ID: | Y512-7412 |
| Compound Name: | ethyl 2-{[N-(2-hydroxyethyl)-beta-alanyl]amino}-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate |
| Molecular Weight: | 340.44 |
| Molecular Formula: | C16 H24 N2 O4 S |
| Smiles: | CCOC(c1c2CCCCc2sc1NC(CCNCCO)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 1.018 |
| logD: | 1.018 |
| logSw: | -1.324 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 72.23 |
| InChI Key: | DBXJMZBUCCYTSA-UHFFFAOYSA-N |