N-[(Z)-[4-[3,5-bis(4-chlorophenyl)-3,4-dihydropyrazol-2-yl]phenyl]methylideneamino]pyridine-3-carboxamide
Formula:C28H21N5OCl2
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N-[(Z)-[4-[3,5-bis(4-chlorophenyl)-3,4-dihydropyrazol-2-yl]phenyl]methylideneamino]pyridine-3-carboxamide is not a drug-like molecule.
| MolName | N-[(Z)-[4-[3,5-bis(4-chlorophenyl)-3,4-dihydropyrazol-2-yl]phenyl]methylideneamino]pyridine-3-carboxamide |
| MolecularFormula | C28H21N5OCl2 |
| Smiles | O=C(c1cnccc1)N/N=C\c(cc1)ccc1N(C(C1)c(cc2)ccc2Cl)N=C1c(cc1)ccc1Cl |
| InChI | InChI=1S/C28H21Cl2N5O/c29-23-9-5-20(6-10-23)26-16-27(21-7-11-24(30)12-8-21)35(34-26)25-13-3-19(4-14-25)17-32-33-28(36)22-2-1-15-31-18-22/h1-15,17-18,27H,16H2,(H,33,36)/t27-/m1/s1 |
| InChIK | FOCZJDXXHSHVJY-HHHXNRCGSA-N |
| TotalMolweight | 514.415 |
| Molweight | 514.415 |
| MonoisotopicMass | 513.112314 |
| CLogP | 6.8751 |
| CLogS | -7.331 |
| H Acceptors | 6 |
| H Donors | 1 |
| TotalSurfaceArea | 382.14 |
| Relative PSA | 0.16235 |
| PolarSurfaceArea | 69.95 |
| Druglikeness | 5.829 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.55556 |
| Fragments | 1 |
| Non HAtoms | 36 |
| NonCHAtoms | 8 |
| Electronegative Atoms | 8 |
| StereoCenters | 1 |
| Rotatable Bond | 6 |
| Rings Closures | 5 |
| Small Rings | 5 |
| Aromatic Rings | 4 |
| Aromatic Atoms | 24 |
| Sp3Atoms | 2 |
| Symmetricatoms | 6 |
| Aromatic Nitrogens | 1 |
| StereoCon | racemate |
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1 - N-[(Z)-[4-[3,5-bis(4-chlorophenyl)-3,4-dihydropyrazol-2-yl]phenyl]methylideneamino]pyridine-3-carboxamide | 2 - N-[(Z)-[4-[3,5-bis(4-chlorophenyl)-3,4-dihydropyrazol-2-yl]phenyl]methylideneamino]pyridine-3-carboxamide
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