[2-[(Z)-[[2-(2-pyridin-2-ylbenzimidazol-1-yl)acetyl]hydrazinylidene]methyl]phenyl] (E)-3-(furan-2-yl)prop-2-enoate
Formula:C28H21N5O4
Mutagenic:high
Tumorigenic:none
Reproductive Effective:none
[2-[(Z)-[[2-(2-pyridin-2-ylbenzimidazol-1-yl)acetyl]hydrazinylidene]methyl]phenyl] (E)-3-(furan-2-yl)prop-2-enoate is a drug-like molecule.
| MolName | [2-[(Z)-[[2-(2-pyridin-2-ylbenzimidazol-1-yl)acetyl]hydrazinylidene]methyl]phenyl] (E)-3-(furan-2-yl)prop-2-enoate |
| MolecularFormula | C28H21N5O4 |
| Smiles | O=C(Cn1c(-c2ncccc2)nc2c1cccc2)N/N=C\c(cccc1)c1OC(/C=C/c1ccco1)=O |
| InChI | InChI=1S/C28H21N5O4/c34-26(19-33-24-12-3-2-10-22(24)31-28(33)23-11-5-6-16-29-23)32-30-18-20-8-1-4-13-25(20)37-27(35)15-14-21-9-7-17-36-21/h1-18H,19H2,(H,32,34) |
| InChIK | UWIJKEIBGBDNPS-UHFFFAOYSA-N |
| TotalMolweight | 491.506 |
| Molweight | 491.506 |
| MonoisotopicMass | 491.159355 |
| CLogP | 4.1101 |
| CLogS | -5.626 |
| H Acceptors | 9 |
| H Donors | 1 |
| TotalSurfaceArea | 385.53 |
| Relative PSA | 0.26449 |
| PolarSurfaceArea | 111.61 |
| Druglikeness | 3.4967 |
| Mutagenic | high |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.54054 |
| Fragments | 1 |
| Non HAtoms | 37 |
| NonCHAtoms | 9 |
| Electronegative Atoms | 9 |
| Rotatable Bond | 9 |
| Rings Closures | 5 |
| Small Rings | 5 |
| Aromatic Rings | 5 |
| Aromatic Atoms | 26 |
| Sp3Atoms | 2 |
| Aromatic Nitrogens | 3 |
| BasicNitrogens | 1 |
| StereoCon |
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1 - [2-[(Z)-[[2-(2-pyridin-2-ylbenzimidazol-1-yl)acetyl]hydrazinylidene]methyl]phenyl] (E)-3-(furan-2-yl)prop-2-enoate | 2 - [2-[(Z)-[[2-(2-pyridin-2-ylbenzimidazol-1-yl)acetyl]hydrazinylidene]methyl]phenyl] (E)-3-(furan-2-yl)prop-2-enoate
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