ethyl 2-{[3-(1H-benzimidazol-2-yl)-6-bromo-2H-1-benzopyran-2-ylidene]amino}-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Chemical Structure Depiction of
ethyl 2-{[3-(1H-benzimidazol-2-yl)-6-bromo-2H-1-benzopyran-2-ylidene]amino}-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
ethyl 2-{[3-(1H-benzimidazol-2-yl)-6-bromo-2H-1-benzopyran-2-ylidene]amino}-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Compound characteristics
| Compound ID: | 2041-2384 |
| Compound Name: | ethyl 2-{[3-(1H-benzimidazol-2-yl)-6-bromo-2H-1-benzopyran-2-ylidene]amino}-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate |
| Molecular Weight: | 548.46 |
| Molecular Formula: | C27 H22 Br N3 O3 S |
| Smiles: | CCOC(c1c2CCCCc2sc1/N=C1/C(=Cc2cc(ccc2O1)[Br])c1nc2ccccc2[nH]1)=O |
| Stereo: | ACHIRAL |
| logP: | 6.6806 |
| logD: | 6.6806 |
| logSw: | -5.7577 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 55.433 |
| InChI Key: | LYRICGJVFWBIJH-UHFFFAOYSA-N |