methyl 5'-amino-6'-cyano-2'-methyl-2-oxo-1-propyl-1,2-dihydrospiro[indole-3,7'-thieno[3,2-b]pyran]-3'-carboxylate
Chemical Structure Depiction of
methyl 5'-amino-6'-cyano-2'-methyl-2-oxo-1-propyl-1,2-dihydrospiro[indole-3,7'-thieno[3,2-b]pyran]-3'-carboxylate
methyl 5'-amino-6'-cyano-2'-methyl-2-oxo-1-propyl-1,2-dihydrospiro[indole-3,7'-thieno[3,2-b]pyran]-3'-carboxylate
Compound characteristics
| Compound ID: | 8017-5081 |
| Compound Name: | methyl 5'-amino-6'-cyano-2'-methyl-2-oxo-1-propyl-1,2-dihydrospiro[indole-3,7'-thieno[3,2-b]pyran]-3'-carboxylate |
| Molecular Weight: | 409.46 |
| Molecular Formula: | C21 H19 N3 O4 S |
| Smiles: | CCCN1C(C2(C(C#N)=C(N)Oc3c(C(=O)OC)c(C)sc23)c2ccccc12)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.2691 |
| logD: | 3.2691 |
| logSw: | -3.7515 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 83.889 |
| InChI Key: | JFGDWZWHMXMJHS-NRFANRHFSA-N |