(E)-1-[2-(1,3-benzodioxol-5-yloxymethyl)morpholin-4-yl]-3-(1H-imidazol-5-yl)prop-2-en-1-one
Formula:C18H19N3O5
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(E)-1-[2-(1,3-benzodioxol-5-yloxymethyl)morpholin-4-yl]-3-(1H-imidazol-5-yl)prop-2-en-1-one is a drug-like molecule.
| MolName | (E)-1-[2-(1,3-benzodioxol-5-yloxymethyl)morpholin-4-yl]-3-(1H-imidazol-5-yl)prop-2-en-1-one |
| MolecularFormula | C18H19N3O5 |
| Smiles | O=C(/C=C/c1cnc[nH]1)N1CC(COc(cc2)cc3c2OCO3)OCC1 |
| InChI | InChI=1S/C18H19N3O5/c22-18(4-1-13-8-19-11-20-13)21-5-6-23-15(9-21)10-24-14-2-3-16-17(7-14)26-12-25-16/h1-4,7-8,11,15H,5-6,9-10,12H2,(H,19,20)/t15-/m1/s1 |
| InChIK | UQXNVRPQJRRJAK-OAHLLOKOSA-N |
| TotalMolweight | 357.365 |
| Molweight | 357.365 |
| MonoisotopicMass | 357.132472 |
| CLogP | 1.3321 |
| CLogS | -2.574 |
| H Acceptors | 8 |
| H Donors | 1 |
| TotalSurfaceArea | 270.2 |
| Relative PSA | 0.30181 |
| PolarSurfaceArea | 85.91 |
| Druglikeness | 3.8227 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.61538 |
| Fragments | 1 |
| Non HAtoms | 26 |
| NonCHAtoms | 8 |
| Electronegative Atoms | 8 |
| StereoCenters | 1 |
| Rotatable Bond | 5 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 11 |
| Sp3Atoms | 10 |
| Amides | 1 |
| Aromatic Nitrogens | 2 |
| BasicNitrogens | 1 |
| StereoCon | racemate |
Click to Load Molecule:
1 - (E)-1-[2-(1,3-benzodioxol-5-yloxymethyl)morpholin-4-yl]-3-(1H-imidazol-5-yl)prop-2-en-1-one | 2 - (E)-1-[2-(1,3-benzodioxol-5-yloxymethyl)morpholin-4-yl]-3-(1H-imidazol-5-yl)prop-2-en-1-one
Spacefill |
Wire |
Ball & Stick |
Iso-vdw |
Opaque |
Dot Surface |
Mep |
Translucent |
Spin |
Label On |
Off