N-[(Z)-[1-phenyl-3-(4-phenylmethoxyphenyl)pyrazol-4-yl]methylideneamino]thiophene-2-carboxamide
Formula:C28H22N4O2S
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N-[(Z)-[1-phenyl-3-(4-phenylmethoxyphenyl)pyrazol-4-yl]methylideneamino]thiophene-2-carboxamide is not a drug-like molecule.
| MolName | N-[(Z)-[1-phenyl-3-(4-phenylmethoxyphenyl)pyrazol-4-yl]methylideneamino]thiophene-2-carboxamide |
| MolecularFormula | C28H22N4O2S |
| Smiles | O=C(c1cccs1)N/N=C\c1cn(-c2ccccc2)nc1-c(cc1)ccc1OCc1ccccc1 |
| InChI | InChI=1S/C28H22N4O2S/c33-28(26-12-7-17-35-26)30-29-18-23-19-32(24-10-5-2-6-11-24)31-27(23)22-13-15-25(16-14-22)34-20-21-8-3-1-4-9-21/h1-19H,20H2,(H,30,33) |
| InChIK | KIVSKMNYSDFJJT-UHFFFAOYSA-N |
| TotalMolweight | 478.575 |
| Molweight | 478.575 |
| MonoisotopicMass | 478.146346 |
| CLogP | 5.3353 |
| CLogS | -6.585 |
| H Acceptors | 6 |
| H Donors | 1 |
| TotalSurfaceArea | 373.93 |
| Relative PSA | 0.2252 |
| PolarSurfaceArea | 96.75 |
| Druglikeness | 7.1593 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.54286 |
| Fragments | 1 |
| Non HAtoms | 35 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| Rotatable Bond | 8 |
| Rings Closures | 5 |
| Small Rings | 5 |
| Aromatic Rings | 5 |
| Aromatic Atoms | 28 |
| Sp3Atoms | 2 |
| Symmetricatoms | 6 |
| Aromatic Nitrogens | 2 |
| StereoCon |
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