2-amino-7,7-dimethyl-2',5-dioxo-5,5',6,6',7,8-hexahydro-2'H,4'H-spiro[[1]benzopyran-4,1'-pyrrolo[3,2,1-ij]quinoline]-3-carbonitrile
Chemical Structure Depiction of
2-amino-7,7-dimethyl-2',5-dioxo-5,5',6,6',7,8-hexahydro-2'H,4'H-spiro[[1]benzopyran-4,1'-pyrrolo[3,2,1-ij]quinoline]-3-carbonitrile
2-amino-7,7-dimethyl-2',5-dioxo-5,5',6,6',7,8-hexahydro-2'H,4'H-spiro[[1]benzopyran-4,1'-pyrrolo[3,2,1-ij]quinoline]-3-carbonitrile
Compound characteristics
| Compound ID: | Y020-0984 |
| Compound Name: | 2-amino-7,7-dimethyl-2',5-dioxo-5,5',6,6',7,8-hexahydro-2'H,4'H-spiro[[1]benzopyran-4,1'-pyrrolo[3,2,1-ij]quinoline]-3-carbonitrile |
| Molecular Weight: | 375.43 |
| Molecular Formula: | C22 H21 N3 O3 |
| Smiles: | CC1(C)CC2=C(C(C1)=O)C1(C(C#N)=C(N)O2)C(N2CCCc3cccc1c23)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.1342 |
| logD: | 2.1342 |
| logSw: | -2.793 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 76.928 |
| InChI Key: | BWJPNWHWJVDDSU-JOCHJYFZSA-N |