ethyl 2-{[N-(prop-2-en-1-yl)glycyl]amino}-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Chemical Structure Depiction of
ethyl 2-{[N-(prop-2-en-1-yl)glycyl]amino}-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
ethyl 2-{[N-(prop-2-en-1-yl)glycyl]amino}-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Compound characteristics
| Compound ID: | 3261-0087 |
| Compound Name: | ethyl 2-{[N-(prop-2-en-1-yl)glycyl]amino}-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate |
| Molecular Weight: | 322.42 |
| Molecular Formula: | C16 H22 N2 O3 S |
| Smiles: | CCOC(c1c2CCCCc2sc1NC(CNCC=C)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.5825 |
| logD: | 0.5094 |
| logSw: | -2.8417 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 55.735 |
| InChI Key: | KTQALLNTCVHUOQ-UHFFFAOYSA-N |