ethyl 2-{[(2-hydroxynaphthalen-1-yl)methyl]amino}-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Chemical Structure Depiction of
ethyl 2-{[(2-hydroxynaphthalen-1-yl)methyl]amino}-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
ethyl 2-{[(2-hydroxynaphthalen-1-yl)methyl]amino}-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Compound characteristics
| Compound ID: | 2726-0012 |
| Compound Name: | ethyl 2-{[(2-hydroxynaphthalen-1-yl)methyl]amino}-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate |
| Molecular Weight: | 381.49 |
| Molecular Formula: | C22 H23 N O3 S |
| Smiles: | CCOC(c1c2CCCCc2sc1NCc1c(ccc2ccccc12)O)=O |
| Stereo: | ACHIRAL |
| logP: | 5.4401 |
| logD: | 5.4396 |
| logSw: | -6.3919 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 47.218 |
| InChI Key: | VXXITJBQMOHNNJ-UHFFFAOYSA-N |