3,6-diamino-4-butyl-2-(4-nitrobenzoyl)thieno[2,3-b]pyridine-5-carbonitrile
Chemical Structure Depiction of
3,6-diamino-4-butyl-2-(4-nitrobenzoyl)thieno[2,3-b]pyridine-5-carbonitrile
3,6-diamino-4-butyl-2-(4-nitrobenzoyl)thieno[2,3-b]pyridine-5-carbonitrile
Compound characteristics
| Compound ID: | 3012-0024 |
| Compound Name: | 3,6-diamino-4-butyl-2-(4-nitrobenzoyl)thieno[2,3-b]pyridine-5-carbonitrile |
| Molecular Weight: | 395.44 |
| Molecular Formula: | C19 H17 N5 O3 S |
| Smiles: | CCCCc1c(C#N)c(N)nc2c1c(c(C(c1ccc(cc1)[N+]([O-])=O)=O)s2)N |
| Stereo: | ACHIRAL |
| logP: | 4.4439 |
| logD: | 4.4439 |
| logSw: | -4.8211 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 4 |
| Polar surface area: | 113.947 |
| InChI Key: | NXVRQFRILARXBE-UHFFFAOYSA-N |