ethyl 2-{2-[(1,3-benzoxazol-2-yl)sulfanyl]acetamido}-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Chemical Structure Depiction of
ethyl 2-{2-[(1,3-benzoxazol-2-yl)sulfanyl]acetamido}-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
ethyl 2-{2-[(1,3-benzoxazol-2-yl)sulfanyl]acetamido}-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Compound characteristics
| Compound ID: | D048-0118 |
| Compound Name: | ethyl 2-{2-[(1,3-benzoxazol-2-yl)sulfanyl]acetamido}-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate |
| Molecular Weight: | 416.52 |
| Molecular Formula: | C20 H20 N2 O4 S2 |
| Smiles: | CCOC(c1c2CCCCc2sc1NC(CSc1nc2ccccc2o1)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.757 |
| logD: | 2.7323 |
| logSw: | -4.5569 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 60.248 |
| InChI Key: | OVKPCDJSUUEXPM-UHFFFAOYSA-N |