7-(3,4-dimethoxyphenyl)-14H-[1]benzothiopyrano[2',3':4,5]pyrimido[1,6-a]benzimidazol-14-one
Chemical Structure Depiction of
7-(3,4-dimethoxyphenyl)-14H-[1]benzothiopyrano[2',3':4,5]pyrimido[1,6-a]benzimidazol-14-one
7-(3,4-dimethoxyphenyl)-14H-[1]benzothiopyrano[2',3':4,5]pyrimido[1,6-a]benzimidazol-14-one
Compound characteristics
| Compound ID: | IB08-9694 |
| Compound Name: | 7-(3,4-dimethoxyphenyl)-14H-[1]benzothiopyrano[2',3':4,5]pyrimido[1,6-a]benzimidazol-14-one |
| Molecular Weight: | 439.49 |
| Molecular Formula: | C25 H17 N3 O3 S |
| Smiles: | COc1ccc(cc1OC)C1=NC2=C(C(c3ccccc3S2)=O)c2nc3ccccc3n12 |
| Stereo: | ACHIRAL |
| logP: | 4.68 |
| logD: | 4.67 |
| logSw: | -5.82 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 125.71 |
| InChI Key: | CVRQCYNCOABSSX-UHFFFAOYSA-N |