2-amino-3-cyano-4',4',6'-trimethyl-2',5-dioxo-5',6'-dihydro-2'H,4'H,5H-spiro[pyrano[3,2-c][1]benzopyran-4,1'-pyrrolo[3,2,1-ij]quinolin]-8'-yl benzoate
Chemical Structure Depiction of
2-amino-3-cyano-4',4',6'-trimethyl-2',5-dioxo-5',6'-dihydro-2'H,4'H,5H-spiro[pyrano[3,2-c][1]benzopyran-4,1'-pyrrolo[3,2,1-ij]quinolin]-8'-yl benzoate
2-amino-3-cyano-4',4',6'-trimethyl-2',5-dioxo-5',6'-dihydro-2'H,4'H,5H-spiro[pyrano[3,2-c][1]benzopyran-4,1'-pyrrolo[3,2,1-ij]quinolin]-8'-yl benzoate
Compound characteristics
| Compound ID: | Y021-0384 |
| Compound Name: | 2-amino-3-cyano-4',4',6'-trimethyl-2',5-dioxo-5',6'-dihydro-2'H,4'H,5H-spiro[pyrano[3,2-c][1]benzopyran-4,1'-pyrrolo[3,2,1-ij]quinolin]-8'-yl benzoate |
| Molecular Weight: | 559.58 |
| Molecular Formula: | C33 H25 N3 O6 |
| Smiles: | CC1CC(C)(C)N2C(C3(C(C#N)=C(N)OC4=C3C(=O)Oc3ccccc34)c3cc(cc1c23)OC(c1ccccc1)=O)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 4.2052 |
| logD: | 4.2052 |
| logSw: | -4.6586 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 104.532 |
| InChI Key: | UKJAZFAFJOEYEB-UHFFFAOYSA-N |