11-(6-Oxo-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-diene-11-carbonyl)-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-6-one
PubChem CID: 4486244
Connections displayed (default: 10).
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| Topological Polar Surface Area | 64.2 |
|---|---|
| Hydrogen Bond Donor Count | 0.0 |
| Heavy Atom Count | 30.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 874.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 11-(6-oxo-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-diene-11-carbonyl)-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-6-one |
| Prediction Hob | 1.0 |
| Xlogp | 0.5 |
| Molecular Formula | C23H26N4O3 |
| Prediction Swissadme | 1.0 |
| Inchi Key | AILDTIZEPVHXBF-UHFFFAOYSA-N |
| Fcsp3 | 0.5217391304347826 |
| Logs | -2.588 |
| Rotatable Bond Count | 0.0 |
| Logd | 1.377 |
| Compound Name | 11-(6-Oxo-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-diene-11-carbonyl)-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-6-one |
| Prediction Hob Swissadme | 1.0 |
| Exact Mass | 406.2 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 406.2 |
| Hydrogen Bond Acceptor Count | 3.0 |
| Molecular Weight | 406.5 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 4.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -4.212613200000001 |
| Inchi | InChI=1S/C23H26N4O3/c28-21-5-1-3-19-17-7-15(11-26(19)21)9-24(13-17)23(30)25-10-16-8-18(14-25)20-4-2-6-22(29)27(20)12-16/h1-6,15-18H,7-14H2 |
| Smiles | C1C2CN(CC1C3=CC=CC(=O)N3C2)C(=O)N4CC5CC(C4)C6=CC=CC(=O)N6C5 |
| Nring | 6.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Thermopsis Lanceolata (Plant) Rel Props:Source_db:cmaup_ingredients