5-[formyl(methyl)amino]-N-methyl-3-(3,7,11,15-tetramethyl-13-oxohexadeca-2,6,11-trienyl)imidazole-4-carboxamide
PubChem CID: 73005097
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| Topological Polar Surface Area | 84.3 |
|---|---|
| Hydrogen Bond Donor Count | 1.0 |
| Heavy Atom Count | 34.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 770.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 5-[formyl(methyl)amino]-N-methyl-3-(3,7,11,15-tetramethyl-13-oxohexadeca-2,6,11-trienyl)imidazole-4-carboxamide |
| Prediction Hob | 0.0 |
| Xlogp | 5.6 |
| Molecular Formula | C27H42N4O3 |
| Prediction Swissadme | 0.0 |
| Inchi Key | BRGBNADJYSOXIE-UHFFFAOYSA-N |
| Fcsp3 | 0.5555555555555556 |
| Logs | -3.002 |
| Rotatable Bond Count | 14.0 |
| Logd | 0.161 |
| Compound Name | 5-[formyl(methyl)amino]-N-methyl-3-(3,7,11,15-tetramethyl-13-oxohexadeca-2,6,11-trienyl)imidazole-4-carboxamide |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 470.326 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 470.326 |
| Hydrogen Bond Acceptor Count | 4.0 |
| Molecular Weight | 470.6 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 3.0 |
| Esol | -5.644303129411765 |
| Inchi | InChI=1S/C27H42N4O3/c1-20(2)16-24(33)17-23(5)13-9-11-21(3)10-8-12-22(4)14-15-31-18-29-26(30(7)19-32)25(31)27(34)28-6/h10,14,17-20H,8-9,11-13,15-16H2,1-7H3,(H,28,34) |
| Smiles | CC(C)CC(=O)C=C(C)CCCC(=CCCC(=CCN1C=NC(=C1C(=O)NC)N(C)C=O)C)C |
| Nring | 5.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Atractylodes Lancea (Plant) Rel Props:Source_db:cmaup_ingredients