N-cyclohexyl-4-oxo-2-[(E)-2-phenylethenyl]-1-pyridin-3-ylazetidine-2-carboxamide
Formula:C23H25N3O2
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N-cyclohexyl-4-oxo-2-[(E)-2-phenylethenyl]-1-pyridin-3-ylazetidine-2-carboxamide is a drug-like molecule.
| MolName | N-cyclohexyl-4-oxo-2-[(E)-2-phenylethenyl]-1-pyridin-3-ylazetidine-2-carboxamide |
| MolecularFormula | C23H25N3O2 |
| Smiles | O=C(C(CC1=O)(/C=C/c2ccccc2)N1c1cnccc1)NC1CCCCC1 |
| InChI | InChI=1S/C23H25N3O2/c27-21-16-23(14-13-18-8-3-1-4-9-18,26(21)20-12-7-15-24-17-20)22(28)25-19-10-5-2-6-11-19/h1,3-4,7-9,12-15,17,19H,2,5-6,10-11,16H2,(H,25,28)/t23-/m1/s1 |
| InChIK | DZRFLKRRYNNRNW-HSZRJFAPSA-N |
| TotalMolweight | 375.471 |
| Molweight | 375.471 |
| MonoisotopicMass | 375.194677 |
| CLogP | 2.8703 |
| CLogS | -4.323 |
| H Acceptors | 5 |
| H Donors | 1 |
| TotalSurfaceArea | 294.01 |
| Relative PSA | 0.17707 |
| PolarSurfaceArea | 62.3 |
| Druglikeness | -0.215 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.46429 |
| Fragments | 1 |
| Non HAtoms | 28 |
| NonCHAtoms | 5 |
| Electronegative Atoms | 5 |
| StereoCenters | 1 |
| Rotatable Bond | 5 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 8 |
| Symmetricatoms | 4 |
| Amides | 2 |
| Aromatic Nitrogens | 1 |
| StereoCon | racemate |
Click to Load Molecule:
1 - N-cyclohexyl-4-oxo-2-[(E)-2-phenylethenyl]-1-pyridin-3-ylazetidine-2-carboxamide | 2 - N-cyclohexyl-4-oxo-2-[(E)-2-phenylethenyl]-1-pyridin-3-ylazetidine-2-carboxamide
Spacefill |
Wire |
Ball & Stick |
Iso-vdw |
Opaque |
Dot Surface |
Mep |
Translucent |
Spin |
Label On |
Off