2-amino-8'-fluoro-6',7,7-trimethyl-3-propanoyl-5',6',7,8-tetrahydro-2'H-dispiro[[1]benzopyran-4,1'-pyrrolo[3,2,1-ij]quinoline-4',1''-cyclopentane]-2',5(6H)-dione
Chemical Structure Depiction of
2-amino-8'-fluoro-6',7,7-trimethyl-3-propanoyl-5',6',7,8-tetrahydro-2'H-dispiro[[1]benzopyran-4,1'-pyrrolo[3,2,1-ij]quinoline-4',1''-cyclopentane]-2',5(6H)-dione
2-amino-8'-fluoro-6',7,7-trimethyl-3-propanoyl-5',6',7,8-tetrahydro-2'H-dispiro[[1]benzopyran-4,1'-pyrrolo[3,2,1-ij]quinoline-4',1''-cyclopentane]-2',5(6H)-dione
Compound characteristics
| Compound ID: | Y021-2642 |
| Compound Name: | 2-amino-8'-fluoro-6',7,7-trimethyl-3-propanoyl-5',6',7,8-tetrahydro-2'H-dispiro[[1]benzopyran-4,1'-pyrrolo[3,2,1-ij]quinoline-4',1''-cyclopentane]-2',5(6H)-dione |
| Molecular Weight: | 492.59 |
| Molecular Formula: | C29 H33 F N2 O4 |
| Smiles: | CCC(C1=C(N)OC2CC(C)(C)CC(C=2C12C(N1c3c(cc(cc23)F)C(C)CC12CCCC2)=O)=O)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 4.1898 |
| logD: | 4.1898 |
| logSw: | -4.5438 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 72.896 |
| InChI Key: | SCNMPKPAUXVEDI-UHFFFAOYSA-N |