(1R,2R)-7,13-diazatetracyclo[7.7.1.02,7.013,17]heptadec-9(17)-ene-6,14-dione
PubChem CID: 145970997
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| Compound Synonyms | CHEMBL4218309 |
|---|---|
| Topological Polar Surface Area | 40.6 |
| Hydrogen Bond Donor Count | 0.0 |
| Heavy Atom Count | 19.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 483.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 2.0 |
| Iupac Name | (1R,2R)-7,13-diazatetracyclo[7.7.1.02,7.013,17]heptadec-9(17)-ene-6,14-dione |
| Prediction Hob | 1.0 |
| Xlogp | -0.2 |
| Molecular Formula | C15H20N2O2 |
| Prediction Swissadme | 0.0 |
| Inchi Key | QRERKVPERFARQG-VXGBXAGGSA-N |
| Fcsp3 | 0.7333333333333333 |
| Logs | -1.576 |
| Rotatable Bond Count | 0.0 |
| Logd | 0.604 |
| Compound Name | (1R,2R)-7,13-diazatetracyclo[7.7.1.02,7.013,17]heptadec-9(17)-ene-6,14-dione |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 260.152 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 260.152 |
| Hydrogen Bond Acceptor Count | 2.0 |
| Molecular Weight | 260.329 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 2.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -1.3154894 |
| Inchi | InChI=1S/C15H20N2O2/c18-13-5-1-4-12-11-6-7-14(19)16-8-2-3-10(15(11)16)9-17(12)13/h11-12H,1-9H2/t11-,12-/m1/s1 |
| Smiles | C1C[C@@H]2[C@H]3CCC(=O)N4C3=C(CCC4)CN2C(=O)C1 |
| Nring | 4.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Sophora Flavescens (Plant) Rel Props:Source_db:cmaup_ingredients