N-cyclopentyl-4-oxo-2-[(E)-2-phenylethenyl]-1-[4-(trifluoromethyl)phenyl]azetidine-2-carboxamide
Formula:C24H23N2O2F3
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N-cyclopentyl-4-oxo-2-[(E)-2-phenylethenyl]-1-[4-(trifluoromethyl)phenyl]azetidine-2-carboxamide is a drug-like molecule.
| MolName | N-cyclopentyl-4-oxo-2-[(E)-2-phenylethenyl]-1-[4-(trifluoromethyl)phenyl]azetidine-2-carboxamide |
| MolecularFormula | C24H23N2O2F3 |
| Smiles | O=C(C(CC1=O)(/C=C/c2ccccc2)N1c1ccc(C(F)(F)F)cc1)NC1CCCC1 |
| InChI | InChI=1S/C24H23F3N2O2/c25-24(26,27)18-10-12-20(13-11-18)29-21(30)16-23(29,15-14-17-6-2-1-3-7-17)22(31)28-19-8-4-5-9-19/h1-3,6-7,10-15,19H,4-5,8-9,16H2,(H,28,31)/t23-/m1/s1 |
| InChIK | WINALLQMVAPETP-HSZRJFAPSA-N |
| TotalMolweight | 428.453 |
| Molweight | 428.453 |
| MonoisotopicMass | 428.171162 |
| CLogP | 4.3775 |
| CLogS | -5.626 |
| H Acceptors | 4 |
| H Donors | 1 |
| TotalSurfaceArea | 310.95 |
| Relative PSA | 0.13214 |
| PolarSurfaceArea | 49.41 |
| Druglikeness | -5.0607 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.45161 |
| Fragments | 1 |
| Non HAtoms | 31 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| StereoCenters | 1 |
| Rotatable Bond | 6 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 8 |
| Symmetricatoms | 8 |
| Amides | 2 |
| StereoCon | racemate |
Click to Load Molecule:
1 - N-cyclopentyl-4-oxo-2-[(E)-2-phenylethenyl]-1-[4-(trifluoromethyl)phenyl]azetidine-2-carboxamide | 2 - N-cyclopentyl-4-oxo-2-[(E)-2-phenylethenyl]-1-[4-(trifluoromethyl)phenyl]azetidine-2-carboxamide
Spacefill |
Wire |
Ball & Stick |
Iso-vdw |
Opaque |
Dot Surface |
Mep |
Translucent |
Spin |
Label On |
Off