7'-amino-1-[(2-chlorophenyl)methyl]-1',3'-dimethyl-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-[(2-chlorophenyl)methyl]-1',3'-dimethyl-2,2',4'-trioxo-1,1',2,2',3',4'-hexahydrospiro[indole-3,5'-pyrano[2,3-d]pyrimidine]-6'-carbonitrile
7'-amino-1-[(2-chlorophenyl)methyl]-1',3'-dimethyl-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: | 8018-8331 |
| Compound Name: | 7'-amino-1-[(2-chlorophenyl)methyl]-1',3'-dimethyl-2,2',4'-trioxo-1,1',2,2',3',4'-hexahydrospiro[indole-3,5'-pyrano[2,3-d]pyrimidine]-6'-carbonitrile |
| Molecular Weight: | 475.89 |
| Molecular Formula: | C24 H18 Cl N5 O4 |
| Smiles: | CN1C2=C(C(N(C)C1=O)=O)C1(C(C#N)=C(N)O2)C(N(Cc2ccccc2[Cl])c2ccccc12)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.7635 |
| logD: | 2.7635 |
| logSw: | -3.6889 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 93.36 |
| InChI Key: | DAKICCNNERBSEI-XMMPIXPASA-N |