(E)-3-(4-chloro-3-nitrophenyl)-N-[4-(morpholin-4-ylmethyl)phenyl]prop-2-enamide
Formula:C20H20N3O4Cl
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(E)-3-(4-chloro-3-nitrophenyl)-N-[4-(morpholin-4-ylmethyl)phenyl]prop-2-enamide is a drug-like molecule.
| MolName | (E)-3-(4-chloro-3-nitrophenyl)-N-[4-(morpholin-4-ylmethyl)phenyl]prop-2-enamide |
| MolecularFormula | C20H20N3O4Cl |
| Smiles | [O-][N+](c(cc(/C=C/C(Nc1ccc(CN2CCOCC2)cc1)=O)cc1)c1Cl)=O |
| InChI | InChI=1S/C20H20ClN3O4/c21-18-7-3-15(13-19(18)24(26)27)4-8-20(25)22-17-5-1-16(2-6-17)14-23-9-11-28-12-10-23/h1-8,13H,9-12,14H2,(H,22,25) |
| InChIK | TVAROPBJVJLZCC-UHFFFAOYSA-N |
| TotalMolweight | 401.849 |
| Molweight | 401.849 |
| MonoisotopicMass | 401.114234 |
| CLogP | 1.4861 |
| CLogS | -4.275 |
| H Acceptors | 7 |
| H Donors | 1 |
| TotalSurfaceArea | 303.42 |
| Relative PSA | 0.22566 |
| PolarSurfaceArea | 87.39 |
| Druglikeness | -3.7611 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | aromatic nitro |
| Shape Index | 0.64286 |
| Fragments | 1 |
| Non HAtoms | 28 |
| NonCHAtoms | 8 |
| Electronegative Atoms | 8 |
| Rotatable Bond | 6 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 8 |
| Symmetricatoms | 4 |
| Amides | 1 |
| Amines | 1 |
| AlkylAmines | 1 |
| BasicNitrogens | 1 |
| AcidicOxygens | 1 |
| StereoCon |
Click to Load Molecule:
1 - (E)-3-(4-chloro-3-nitrophenyl)-N-[4-(morpholin-4-ylmethyl)phenyl]prop-2-enamide | 2 - (E)-3-(4-chloro-3-nitrophenyl)-N-[4-(morpholin-4-ylmethyl)phenyl]prop-2-enamide
Spacefill |
Wire |
Ball & Stick |
Iso-vdw |
Opaque |
Dot Surface |
Mep |
Translucent |
Spin |
Label On |
Off