ethyl 2-{[(5-chloro-2-hydroxyphenyl)methyl]amino}-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Chemical Structure Depiction of
ethyl 2-{[(5-chloro-2-hydroxyphenyl)methyl]amino}-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
ethyl 2-{[(5-chloro-2-hydroxyphenyl)methyl]amino}-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Compound characteristics
| Compound ID: | 6079-1873 |
| Compound Name: | ethyl 2-{[(5-chloro-2-hydroxyphenyl)methyl]amino}-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate |
| Molecular Weight: | 365.88 |
| Molecular Formula: | C18 H20 Cl N O3 S |
| Smiles: | CCOC(c1c2CCCCc2sc1NCc1cc(ccc1O)[Cl])=O |
| Stereo: | ACHIRAL |
| logP: | 4.7361 |
| logD: | 4.7354 |
| logSw: | -4.5584 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 47.49 |
| InChI Key: | GTKGNSBIAYJFIP-UHFFFAOYSA-N |