ethyl 2-[(3,6-diamino-5-cyanothieno[2,3-b]pyridine-2-carbonyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Chemical Structure Depiction of
ethyl 2-[(3,6-diamino-5-cyanothieno[2,3-b]pyridine-2-carbonyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
ethyl 2-[(3,6-diamino-5-cyanothieno[2,3-b]pyridine-2-carbonyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Compound characteristics
| Compound ID: | 8004-4969 |
| Compound Name: | ethyl 2-[(3,6-diamino-5-cyanothieno[2,3-b]pyridine-2-carbonyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate |
| Molecular Weight: | 441.53 |
| Molecular Formula: | C20 H19 N5 O3 S2 |
| Smiles: | CCOC(c1c2CCCCc2sc1NC(c1c(c2cc(C#N)c(N)nc2s1)N)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.3871 |
| logD: | 0.8705 |
| logSw: | -3.9603 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 5 |
| Polar surface area: | 110.658 |
| InChI Key: | IKGDOFLZJPHSHX-UHFFFAOYSA-N |