(3R,4aS)-3-(2-phenylethenyl)-3,4,4a,5,7,8-hexahydro-1H-pyrimido[1,6-c][1,3]oxazin-6-one
PubChem CID: 162856376
Connections displayed (default: 10).
Loading graph...
| Topological Polar Surface Area | 41.6 |
|---|---|
| Hydrogen Bond Donor Count | 1.0 |
| Heavy Atom Count | 19.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 350.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 2.0 |
| Iupac Name | (3R,4aS)-3-(2-phenylethenyl)-3,4,4a,5,7,8-hexahydro-1H-pyrimido[1,6-c][1,3]oxazin-6-one |
| Prediction Hob | 1.0 |
| Xlogp | 1.7 |
| Molecular Formula | C15H18N2O2 |
| Prediction Swissadme | 1.0 |
| Inchi Key | ZDZYRRWSDFKCRU-KBPBESRZSA-N |
| Fcsp3 | 0.4 |
| Logs | -1.481 |
| Rotatable Bond Count | 2.0 |
| Logd | 1.383 |
| Compound Name | (3R,4aS)-3-(2-phenylethenyl)-3,4,4a,5,7,8-hexahydro-1H-pyrimido[1,6-c][1,3]oxazin-6-one |
| Prediction Hob Swissadme | 1.0 |
| Exact Mass | 258.137 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 258.137 |
| Hydrogen Bond Acceptor Count | 3.0 |
| Molecular Weight | 258.32 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 2.0 |
| Total Bond Stereocenter Count | 1.0 |
| Esol | -2.715074410526315 |
| Inchi | InChI=1S/C15H18N2O2/c18-15-9-13-8-14(19-11-17(13)10-16-15)7-6-12-4-2-1-3-5-12/h1-7,13-14H,8-11H2,(H,16,18)/t13-,14-/m0/s1 |
| Smiles | C1[C@H]2CC(=O)NCN2CO[C@H]1C=CC3=CC=CC=C3 |
| Nring | 3.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Mortonia Palmeri (Plant) Rel Props:Source_db:cmaup_ingredients