3,6-diamino-2-(4-nitrobenzoyl)-4-(propan-2-yl)thieno[2,3-b]pyridine-5-carbonitrile
Chemical Structure Depiction of
3,6-diamino-2-(4-nitrobenzoyl)-4-(propan-2-yl)thieno[2,3-b]pyridine-5-carbonitrile
3,6-diamino-2-(4-nitrobenzoyl)-4-(propan-2-yl)thieno[2,3-b]pyridine-5-carbonitrile
Compound characteristics
| Compound ID: | 8008-8163 |
| Compound Name: | 3,6-diamino-2-(4-nitrobenzoyl)-4-(propan-2-yl)thieno[2,3-b]pyridine-5-carbonitrile |
| Molecular Weight: | 381.41 |
| Molecular Formula: | C18 H15 N5 O3 S |
| Smiles: | CC(C)c1c(C#N)c(N)nc2c1c(c(C(c1ccc(cc1)[N+]([O-])=O)=O)s2)N |
| Stereo: | ACHIRAL |
| logP: | 3.745 |
| logD: | 3.745 |
| logSw: | -4.6283 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 4 |
| Polar surface area: | 113.947 |
| InChI Key: | QLPLTTIKOVMSCX-UHFFFAOYSA-N |