prop-2-en-1-yl 6'-amino-5'-cyano-2'-methyl-2-oxo-1-(prop-2-yn-1-yl)-1,2-dihydrospiro[indole-3,4'-pyran]-3'-carboxylate
Chemical Structure Depiction of
prop-2-en-1-yl 6'-amino-5'-cyano-2'-methyl-2-oxo-1-(prop-2-yn-1-yl)-1,2-dihydrospiro[indole-3,4'-pyran]-3'-carboxylate
prop-2-en-1-yl 6'-amino-5'-cyano-2'-methyl-2-oxo-1-(prop-2-yn-1-yl)-1,2-dihydrospiro[indole-3,4'-pyran]-3'-carboxylate
Compound characteristics
| Compound ID: | 5066-0318 |
| Compound Name: | prop-2-en-1-yl 6'-amino-5'-cyano-2'-methyl-2-oxo-1-(prop-2-yn-1-yl)-1,2-dihydrospiro[indole-3,4'-pyran]-3'-carboxylate |
| Molecular Weight: | 375.38 |
| Molecular Formula: | C21 H17 N3 O4 |
| Smiles: | CC1=C(C(=O)OCC=C)C2(C(C#N)=C(N)O1)C(N(CC#C)c1ccccc12)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.2134 |
| logD: | 2.2134 |
| logSw: | -3.0483 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 83.459 |
| InChI Key: | NPHURIATJWFRNB-OAQYLSRUSA-N |