8,8-dimethyl-10-{[(1,3,5-triazatricyclo[3.3.1.1~3,7~]decan-7-yl)amino]methylidene}-2H,8H-benzo[1,2-b:3,4-b']dipyran-2,9(10H)-dione
Chemical Structure Depiction of
8,8-dimethyl-10-{[(1,3,5-triazatricyclo[3.3.1.1~3,7~]decan-7-yl)amino]methylidene}-2H,8H-benzo[1,2-b:3,4-b']dipyran-2,9(10H)-dione
8,8-dimethyl-10-{[(1,3,5-triazatricyclo[3.3.1.1~3,7~]decan-7-yl)amino]methylidene}-2H,8H-benzo[1,2-b:3,4-b']dipyran-2,9(10H)-dione
Compound characteristics
| Compound ID: | 6944-0126 |
| Compound Name: | 8,8-dimethyl-10-{[(1,3,5-triazatricyclo[3.3.1.1~3,7~]decan-7-yl)amino]methylidene}-2H,8H-benzo[1,2-b:3,4-b']dipyran-2,9(10H)-dione |
| Molecular Weight: | 408.46 |
| Molecular Formula: | C22 H24 N4 O4 |
| Smiles: | CC1(C)C(C(=C/NC23CN4CN(C2)CN(C3)C4)\c2c(ccc3C=CC(=O)Oc23)O1)=O |
| Stereo: | ACHIRAL |
| logP: | 1.5852 |
| logD: | 1.5644 |
| logSw: | -2.299 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 64.53 |
| InChI Key: | LDUDCIJZGDZOTK-UHFFFAOYSA-N |