ethyl 2-({[2-(3-methoxyphenyl)-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-(3-methoxyphenyl)-5-oxo-1,3-oxazol-4(5H)-ylidene]methyl}amino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
ethyl 2-({[2-(3-methoxyphenyl)-5-oxo-1,3-oxazol-4(5H)-ylidene]methyl}amino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Compound characteristics
| Compound ID: | K091-0439 |
| Compound Name: | ethyl 2-({[2-(3-methoxyphenyl)-5-oxo-1,3-oxazol-4(5H)-ylidene]methyl}amino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate |
| Molecular Weight: | 426.49 |
| Molecular Formula: | C22 H22 N2 O5 S |
| Smiles: | CCOC(c1c2CCCCc2sc1N\C=C1/C(=O)OC(c2cccc(c2)OC)=N1)=O |
| Stereo: | ACHIRAL |
| logP: | 4.1709 |
| logD: | 1.0478 |
| logSw: | -4.392 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 69.989 |
| InChI Key: | NHGCATVASBPHNG-UHFFFAOYSA-N |