1-[2,4-Bis(3,4-dimethoxyphenyl)-3-(6-oxo-2,3-dihydropyridine-1-carbonyl)cyclobutanecarbonyl]-2,3-dihydropyridin-6-one
PubChem CID: 101725586
Connections displayed (default: 10).
Loading graph...
| Topological Polar Surface Area | 112.0 |
|---|---|
| Hydrogen Bond Donor Count | 0.0 |
| Heavy Atom Count | 42.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 994.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 1-[2,4-bis(3,4-dimethoxyphenyl)-3-(6-oxo-2,3-dihydropyridine-1-carbonyl)cyclobutanecarbonyl]-2,3-dihydropyridin-6-one |
| Prediction Hob | 0.0 |
| Xlogp | 3.0 |
| Molecular Formula | C32H34N2O8 |
| Prediction Swissadme | 0.0 |
| Inchi Key | XLBWPRYBCXIRIT-UHFFFAOYSA-N |
| Fcsp3 | 0.375 |
| Logs | -4.606 |
| Rotatable Bond Count | 8.0 |
| Logd | 2.493 |
| Compound Name | 1-[2,4-Bis(3,4-dimethoxyphenyl)-3-(6-oxo-2,3-dihydropyridine-1-carbonyl)cyclobutanecarbonyl]-2,3-dihydropyridin-6-one |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 574.232 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 574.232 |
| Hydrogen Bond Acceptor Count | 8.0 |
| Molecular Weight | 574.6 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -4.850434571428574 |
| Inchi | InChI=1S/C32H34N2O8/c1-39-21-13-11-19(17-23(21)41-3)27-29(31(37)33-15-7-5-9-25(33)35)28(20-12-14-22(40-2)24(18-20)42-4)30(27)32(38)34-16-8-6-10-26(34)36/h5-6,9-14,17-18,27-30H,7-8,15-16H2,1-4H3 |
| Smiles | COC1=C(C=C(C=C1)C2C(C(C2C(=O)N3CCC=CC3=O)C4=CC(=C(C=C4)OC)OC)C(=O)N5CCC=CC5=O)OC |
| Nring | 5.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Curcuma Zedoaria (Plant) Rel Props:Source_db:cmaup_ingredients