2-amino-3-cyano-4',4',6',7,7-pentamethyl-2',5-dioxo-5,6,7,8-tetrahydro-2'H,4'H-spiro[[1]benzopyran-4,1'-pyrrolo[3,2,1-ij]quinolin]-8'-yl 2-methoxybenzoate
Chemical Structure Depiction of
2-amino-3-cyano-4',4',6',7,7-pentamethyl-2',5-dioxo-5,6,7,8-tetrahydro-2'H,4'H-spiro[[1]benzopyran-4,1'-pyrrolo[3,2,1-ij]quinolin]-8'-yl 2-methoxybenzoate
2-amino-3-cyano-4',4',6',7,7-pentamethyl-2',5-dioxo-5,6,7,8-tetrahydro-2'H,4'H-spiro[[1]benzopyran-4,1'-pyrrolo[3,2,1-ij]quinolin]-8'-yl 2-methoxybenzoate
Compound characteristics
| Compound ID: | Y021-0395 |
| Compound Name: | 2-amino-3-cyano-4',4',6',7,7-pentamethyl-2',5-dioxo-5,6,7,8-tetrahydro-2'H,4'H-spiro[[1]benzopyran-4,1'-pyrrolo[3,2,1-ij]quinolin]-8'-yl 2-methoxybenzoate |
| Molecular Weight: | 565.63 |
| Molecular Formula: | C33 H31 N3 O6 |
| Smiles: | CC1=CC(C)(C)N2C(C3(C(C#N)=C(N)OC4CC(C)(C)CC(C3=4)=O)c3cc(cc1c23)OC(c1ccccc1OC)=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.5667 |
| logD: | 4.5667 |
| logSw: | -4.8834 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 104.065 |
| InChI Key: | DMSMSTUJNJHWBY-MGBGTMOVSA-N |