methyl 5'-amino-6'-cyano-1-[2-(4-methoxyanilino)-2-oxoethyl]-2'-methyl-2-oxo-1,2-dihydrospiro[indole-3,7'-thieno[3,2-b]pyran]-3'-carboxylate
Chemical Structure Depiction of
methyl 5'-amino-6'-cyano-1-[2-(4-methoxyanilino)-2-oxoethyl]-2'-methyl-2-oxo-1,2-dihydrospiro[indole-3,7'-thieno[3,2-b]pyran]-3'-carboxylate
methyl 5'-amino-6'-cyano-1-[2-(4-methoxyanilino)-2-oxoethyl]-2'-methyl-2-oxo-1,2-dihydrospiro[indole-3,7'-thieno[3,2-b]pyran]-3'-carboxylate
Compound characteristics
| Compound ID: | 8018-3263 |
| Compound Name: | methyl 5'-amino-6'-cyano-1-[2-(4-methoxyanilino)-2-oxoethyl]-2'-methyl-2-oxo-1,2-dihydrospiro[indole-3,7'-thieno[3,2-b]pyran]-3'-carboxylate |
| Molecular Weight: | 530.56 |
| Molecular Formula: | C27 H22 N4 O6 S |
| Smiles: | Cc1c(C(=O)OC)c2c(C3(C(C#N)=C(N)O2)C(N(CC(Nc2ccc(cc2)OC)=O)c2ccccc23)=O)s1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.4701 |
| logD: | 3.4701 |
| logSw: | -4.2004 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 114.332 |
| InChI Key: | IMPMUDAEINSECV-MHZLTWQESA-N |