methyl [6'-amino-3'-(4-butoxyphenyl)-5'-cyano-2-oxo-1'H-spiro[indole-3,4'-pyrano[2,3-c]pyrazol]-1(2H)-yl]acetate
Chemical Structure Depiction of
methyl [6'-amino-3'-(4-butoxyphenyl)-5'-cyano-2-oxo-1'H-spiro[indole-3,4'-pyrano[2,3-c]pyrazol]-1(2H)-yl]acetate
methyl [6'-amino-3'-(4-butoxyphenyl)-5'-cyano-2-oxo-1'H-spiro[indole-3,4'-pyrano[2,3-c]pyrazol]-1(2H)-yl]acetate
Compound characteristics
| Compound ID: | 8012-0102 |
| Compound Name: | methyl [6'-amino-3'-(4-butoxyphenyl)-5'-cyano-2-oxo-1'H-spiro[indole-3,4'-pyrano[2,3-c]pyrazol]-1(2H)-yl]acetate |
| Molecular Weight: | 499.53 |
| Molecular Formula: | C27 H25 N5 O5 |
| Smiles: | CCCCOc1ccc(cc1)c1c2c([nH]n1)OC(=C(C#N)C21C(N(CC(=O)OC)c2ccccc12)=O)N |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.3115 |
| logD: | 3.3115 |
| logSw: | -3.9324 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 114.21 |
| InChI Key: | QTPUDUPWTVOFCJ-MHZLTWQESA-N |