ethyl 2-({7-hydroxy-3-[(3-methylphenyl)carbamoyl]-2H-1-benzopyran-2-ylidene}amino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Chemical Structure Depiction of
ethyl 2-({7-hydroxy-3-[(3-methylphenyl)carbamoyl]-2H-1-benzopyran-2-ylidene}amino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
ethyl 2-({7-hydroxy-3-[(3-methylphenyl)carbamoyl]-2H-1-benzopyran-2-ylidene}amino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Compound characteristics
| Compound ID: | 2265-3104 |
| Compound Name: | ethyl 2-({7-hydroxy-3-[(3-methylphenyl)carbamoyl]-2H-1-benzopyran-2-ylidene}amino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate |
| Molecular Weight: | 502.59 |
| Molecular Formula: | C28 H26 N2 O5 S |
| Smiles: | CCOC(c1c2CCCCc2sc1/N=C1/C(=Cc2ccc(cc2O1)O)C(Nc1cccc(C)c1)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 5.7476 |
| logD: | 5.7375 |
| logSw: | -5.2409 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 77.122 |
| InChI Key: | GMYRNEUQAYBMGA-UHFFFAOYSA-N |