3,6-diamino-2-(4-bromobenzoyl)-4-(3,4,5-trimethoxyphenyl)thieno[2,3-b]pyridine-5-carbonitrile
Chemical Structure Depiction of
3,6-diamino-2-(4-bromobenzoyl)-4-(3,4,5-trimethoxyphenyl)thieno[2,3-b]pyridine-5-carbonitrile
3,6-diamino-2-(4-bromobenzoyl)-4-(3,4,5-trimethoxyphenyl)thieno[2,3-b]pyridine-5-carbonitrile
Compound characteristics
| Compound ID: | 8008-8851 |
| Compound Name: | 3,6-diamino-2-(4-bromobenzoyl)-4-(3,4,5-trimethoxyphenyl)thieno[2,3-b]pyridine-5-carbonitrile |
| Molecular Weight: | 539.41 |
| Molecular Formula: | C24 H19 Br N4 O4 S |
| Smiles: | COc1cc(cc(c1OC)OC)c1c(C#N)c(N)nc2c1c(c(C(c1ccc(cc1)[Br])=O)s2)N |
| Stereo: | ACHIRAL |
| logP: | 4.6811 |
| logD: | 4.6811 |
| logSw: | -5.0448 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 4 |
| Polar surface area: | 103.271 |
| InChI Key: | STXBBCINAQQBLV-UHFFFAOYSA-N |