diethyl 5-[(3-amino-5-anilino-4-cyanothiophene-2-carbonyl)amino]-3-methylthiophene-2,4-dicarboxylate
Chemical Structure Depiction of
diethyl 5-[(3-amino-5-anilino-4-cyanothiophene-2-carbonyl)amino]-3-methylthiophene-2,4-dicarboxylate
diethyl 5-[(3-amino-5-anilino-4-cyanothiophene-2-carbonyl)amino]-3-methylthiophene-2,4-dicarboxylate
Compound characteristics
| Compound ID: | 8014-1479 |
| Compound Name: | diethyl 5-[(3-amino-5-anilino-4-cyanothiophene-2-carbonyl)amino]-3-methylthiophene-2,4-dicarboxylate |
| Molecular Weight: | 498.58 |
| Molecular Formula: | C23 H22 N4 O5 S2 |
| Smiles: | CCOC(c1c(C)c(C(=O)OCC)sc1NC(c1c(c(C#N)c(Nc2ccccc2)s1)N)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.1416 |
| logD: | 0.6144 |
| logSw: | -4.3468 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 4 |
| Polar surface area: | 109.781 |
| InChI Key: | UAOKGUPCBUAMHP-UHFFFAOYSA-N |