7'-amino-1-methyl-2,2',4'-trioxo-1,1',2,2',3',4'-hexahydrospiro[indole-3,5'-pyrano[2,3-d]pyrimidine]-6'-carbonitrile
Chemical Structure Depiction of
7'-amino-1-methyl-2,2',4'-trioxo-1,1',2,2',3',4'-hexahydrospiro[indole-3,5'-pyrano[2,3-d]pyrimidine]-6'-carbonitrile
7'-amino-1-methyl-2,2',4'-trioxo-1,1',2,2',3',4'-hexahydrospiro[indole-3,5'-pyrano[2,3-d]pyrimidine]-6'-carbonitrile
Compound characteristics
Compound ID: | 8009-3878 |
Compound Name: | 7'-amino-1-methyl-2,2',4'-trioxo-1,1',2,2',3',4'-hexahydrospiro[indole-3,5'-pyrano[2,3-d]pyrimidine]-6'-carbonitrile |
Molecular Weight: | 337.29 |
Molecular Formula: | C16 H11 N5 O4 |
Smiles: | CN1C(C2(C(C#N)=C(N)OC3=C2C(NC(N3)=O)=O)c2ccccc12)=O |
Stereo: | RACEMIC MIXTURE |
logP: | -0.4291 |
logD: | -0.4534 |
logSw: | -2.1831 |
Hydrogen bond acceptors count: | 8 |
Hydrogen bond donors count: | 4 |
Polar surface area: | 111.695 |
InChI Key: | IVEKRZQGYDMXPE-MRXNPFEDSA-N |