(E)-2-cyano-N-(2-fluorophenyl)-3-[(3E)-2-morpholin-4-yl-3-[(3-nitrophenyl)methylidene]cyclopenten-1-yl]prop-2-enamide
Formula:C26H23N4O4F
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(E)-2-cyano-N-(2-fluorophenyl)-3-[(3E)-2-morpholin-4-yl-3-[(3-nitrophenyl)methylidene]cyclopenten-1-yl]prop-2-enamide is a drug-like molecule.
| MolName | (E)-2-cyano-N-(2-fluorophenyl)-3-[(3E)-2-morpholin-4-yl-3-[(3-nitrophenyl)methylidene]cyclopenten-1-yl]prop-2-enamide |
| MolecularFormula | C26H23N4O4F |
| Smiles | N#C/C(/C(Nc(cccc1)c1F)=O)=C\C(CC/C1=C\c2cc([N+]([O-])=O)ccc2)=C1N1CCOCC1 |
| InChI | InChI=1S/C26H23FN4O4/c27-23-6-1-2-7-24(23)29-26(32)21(17-28)16-20-9-8-19(25(20)30-10-12-35-13-11-30)14-18-4-3-5-22(15-18)31(33)34/h1-7,14-16H,8-13H2,(H,29,32) |
| InChIK | UZIJVCHJJSDCHH-UHFFFAOYSA-N |
| TotalMolweight | 474.491 |
| Molweight | 474.491 |
| MonoisotopicMass | 474.170334 |
| CLogP | 2.4588 |
| CLogS | -5.13 |
| H Acceptors | 8 |
| H Donors | 1 |
| TotalSurfaceArea | 362.16 |
| Relative PSA | 0.2265 |
| PolarSurfaceArea | 111.18 |
| Druglikeness | -7.7809 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | twice activated DB; aromatic nitro |
| Shape Index | 0.48571 |
| Fragments | 1 |
| Non HAtoms | 35 |
| NonCHAtoms | 9 |
| Electronegative Atoms | 9 |
| Rotatable Bond | 6 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 8 |
| Symmetricatoms | 2 |
| Amides | 1 |
| BasicNitrogens | 1 |
| AcidicOxygens | 1 |
| StereoCon |
Click to Load Molecule:
1 - (E)-2-cyano-N-(2-fluorophenyl)-3-[(3E)-2-morpholin-4-yl-3-[(3-nitrophenyl)methylidene]cyclopenten-1-yl]prop-2-enamide | 2 - (E)-2-cyano-N-(2-fluorophenyl)-3-[(3E)-2-morpholin-4-yl-3-[(3-nitrophenyl)methylidene]cyclopenten-1-yl]prop-2-enamide
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