ethyl 2-({[2-(4-butoxyphenyl)-5-oxo-1,3-oxazol-4(5H)-ylidene]methyl}amino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Chemical Structure Depiction of
ethyl 2-({[2-(4-butoxyphenyl)-5-oxo-1,3-oxazol-4(5H)-ylidene]methyl}amino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
ethyl 2-({[2-(4-butoxyphenyl)-5-oxo-1,3-oxazol-4(5H)-ylidene]methyl}amino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Compound characteristics
| Compound ID: | K091-1050 |
| Compound Name: | ethyl 2-({[2-(4-butoxyphenyl)-5-oxo-1,3-oxazol-4(5H)-ylidene]methyl}amino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate |
| Molecular Weight: | 468.57 |
| Molecular Formula: | C25 H28 N2 O5 S |
| Smiles: | CCCCOc1ccc(cc1)C1=NC(=C/Nc2c(C(=O)OCC)c3CCCCc3s2)\C(=O)O1 |
| Stereo: | ACHIRAL |
| logP: | 5.5669 |
| logD: | 2.4437 |
| logSw: | -5.3655 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 69.863 |
| InChI Key: | JVJJDOAIRVIEBA-UHFFFAOYSA-N |