N-[(Z)-[1-(4-bromophenyl)-2,5-diphenylpyrrol-3-yl]methylideneamino]-2-cyanoacetamide
Formula:C26H19N4OBr
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N-[(Z)-[1-(4-bromophenyl)-2,5-diphenylpyrrol-3-yl]methylideneamino]-2-cyanoacetamide is not a drug-like molecule.
| MolName | N-[(Z)-[1-(4-bromophenyl)-2,5-diphenylpyrrol-3-yl]methylideneamino]-2-cyanoacetamide |
| MolecularFormula | C26H19N4OBr |
| Smiles | N#CCC(N/N=C\c(cc1-c2ccccc2)c(-c2ccccc2)n1-c(cc1)ccc1Br)=O |
| InChI | InChI=1S/C26H19BrN4O/c27-22-11-13-23(14-12-22)31-24(19-7-3-1-4-8-19)17-21(18-29-30-25(32)15-16-28)26(31)20-9-5-2-6-10-20/h1-14,17-18H,15H2,(H,30,32) |
| InChIK | JMPLSGBBZICPSG-UHFFFAOYSA-N |
| TotalMolweight | 483.368 |
| Molweight | 483.368 |
| MonoisotopicMass | 482.074222 |
| CLogP | 5.8683 |
| CLogS | -9.672 |
| H Acceptors | 5 |
| H Donors | 1 |
| TotalSurfaceArea | 349.81 |
| Relative PSA | 0.16134 |
| PolarSurfaceArea | 70.18 |
| Druglikeness | -3.4913 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.46875 |
| Fragments | 1 |
| Non HAtoms | 32 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| Rotatable Bond | 6 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 4 |
| Aromatic Atoms | 23 |
| Sp3Atoms | 1 |
| Symmetricatoms | 6 |
| Aromatic Nitrogens | 1 |
| StereoCon |
Click to Load Molecule:
1 - N-[(Z)-[1-(4-bromophenyl)-2,5-diphenylpyrrol-3-yl]methylideneamino]-2-cyanoacetamide | 2 - N-[(Z)-[1-(4-bromophenyl)-2,5-diphenylpyrrol-3-yl]methylideneamino]-2-cyanoacetamide
Spacefill |
Wire |
Ball & Stick |
Iso-vdw |
Opaque |
Dot Surface |
Mep |
Translucent |
Spin |
Label On |
Off