N-[(Z)-[1-(4-nitrophenyl)-2,5-diphenylpyrrol-3-yl]methylideneamino]-2-[3-(trifluoromethyl)phenyl]acetamide
Formula:C32H23N4O3F3
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N-[(Z)-[1-(4-nitrophenyl)-2,5-diphenylpyrrol-3-yl]methylideneamino]-2-[3-(trifluoromethyl)phenyl]acetamide is not a drug-like molecule.
| MolName | N-[(Z)-[1-(4-nitrophenyl)-2,5-diphenylpyrrol-3-yl]methylideneamino]-2-[3-(trifluoromethyl)phenyl]acetamide |
| MolecularFormula | C32H23N4O3F3 |
| Smiles | [O-][N+](c(cc1)ccc1-n1c(-c2ccccc2)c(/C=N\NC(Cc2cccc(C(F)(F)F)c2)=O)cc1-c1ccccc1)=O |
| InChI | InChI=1S/C32H23F3N4O3/c33-32(34,35)26-13-7-8-22(18-26)19-30(40)37-36-21-25-20-29(23-9-3-1-4-10-23)38(31(25)24-11-5-2-6-12-24)27-14-16-28(17-15-27)39(41)42/h1-18,20-21H,19H2,(H,37,40) |
| InChIK | CEYDFHDJWCRBLT-UHFFFAOYSA-N |
| TotalMolweight | 568.554 |
| Molweight | 568.554 |
| MonoisotopicMass | 568.172225 |
| CLogP | 6.8117 |
| CLogS | -10.793 |
| H Acceptors | 7 |
| H Donors | 1 |
| TotalSurfaceArea | 422.36 |
| Relative PSA | 0.17355 |
| PolarSurfaceArea | 92.21 |
| Druglikeness | -6.753 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | aromatic nitro; acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.45238 |
| Fragments | 1 |
| Non HAtoms | 42 |
| NonCHAtoms | 10 |
| Electronegative Atoms | 10 |
| Rotatable Bond | 9 |
| Rings Closures | 5 |
| Small Rings | 5 |
| Aromatic Rings | 5 |
| Aromatic Atoms | 29 |
| Sp3Atoms | 3 |
| Symmetricatoms | 8 |
| Aromatic Nitrogens | 1 |
| AcidicOxygens | 1 |
| StereoCon |
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1 - N-[(Z)-[1-(4-nitrophenyl)-2,5-diphenylpyrrol-3-yl]methylideneamino]-2-[3-(trifluoromethyl)phenyl]acetamide | 2 - N-[(Z)-[1-(4-nitrophenyl)-2,5-diphenylpyrrol-3-yl]methylideneamino]-2-[3-(trifluoromethyl)phenyl]acetamide
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