(E)-3-(2-oxo-1-azatricyclo[7.3.1.05,13]trideca-3,5(13),6,8-tetraen-3-yl)-N-(2-phenylethyl)prop-2-enamide
Formula:C23H22N2O2
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(E)-3-(2-oxo-1-azatricyclo[7.3.1.05,13]trideca-3,5(13),6,8-tetraen-3-yl)-N-(2-phenylethyl)prop-2-enamide is a drug-like molecule.
| MolName | (E)-3-(2-oxo-1-azatricyclo[7.3.1.05,13]trideca-3,5(13),6,8-tetraen-3-yl)-N-(2-phenylethyl)prop-2-enamide |
| MolecularFormula | C23H22N2O2 |
| Smiles | O=C(/C=C/C1=Cc(cccc2CCC3)c2N3C1=O)NCCc1ccccc1 |
| InChI | InChI=1S/C23H22N2O2/c26-21(24-14-13-17-6-2-1-3-7-17)12-11-20-16-19-9-4-8-18-10-5-15-25(22(18)19)23(20)27/h1-4,6-9,11-12,16H,5,10,13-15H2,(H,24,26) |
| InChIK | YGHMDPHOVCHHOH-UHFFFAOYSA-N |
| TotalMolweight | 358.44 |
| Molweight | 358.44 |
| MonoisotopicMass | 358.168128 |
| CLogP | 3.5158 |
| CLogS | -4.345 |
| H Acceptors | 4 |
| H Donors | 1 |
| TotalSurfaceArea | 283.29 |
| Relative PSA | 0.14505 |
| PolarSurfaceArea | 49.41 |
| Druglikeness | 2.4552 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.59259 |
| Fragments | 1 |
| Non HAtoms | 27 |
| NonCHAtoms | 4 |
| Electronegative Atoms | 4 |
| Rotatable Bond | 5 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 5 |
| Symmetricatoms | 2 |
| Amides | 2 |
| StereoCon |
Click to Load Molecule:
1 - (E)-3-(2-oxo-1-azatricyclo[7.3.1.05,13]trideca-3,5(13),6,8-tetraen-3-yl)-N-(2-phenylethyl)prop-2-enamide | 2 - (E)-3-(2-oxo-1-azatricyclo[7.3.1.05,13]trideca-3,5(13),6,8-tetraen-3-yl)-N-(2-phenylethyl)prop-2-enamide
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