N-[(Z)-[3,4-bis(phenylmethoxy)phenyl]methylideneamino]-2-thiophen-2-ylquinoline-4-carboxamide
Formula:C35H27N3O3S
Mutagenic:none
Tumorigenic:high
Reproductive Effective:high
N-[(Z)-[3,4-bis(phenylmethoxy)phenyl]methylideneamino]-2-thiophen-2-ylquinoline-4-carboxamide is not a drug-like molecule.
| MolName | N-[(Z)-[3,4-bis(phenylmethoxy)phenyl]methylideneamino]-2-thiophen-2-ylquinoline-4-carboxamide |
| MolecularFormula | C35H27N3O3S |
| Smiles | O=C(c1cc(-c2cccs2)nc2ccccc12)N/N=C\c(cc1)cc(OCc2ccccc2)c1OCc1ccccc1 |
| InChI | InChI=1S/C35H27N3O3S/c39-35(29-21-31(34-16-9-19-42-34)37-30-15-8-7-14-28(29)30)38-36-22-27-17-18-32(40-23-25-10-3-1-4-11-25)33(20-27)41-24-26-12-5-2-6-13-26/h1-22H,23-24H2,(H,38,39) |
| InChIK | CFBHJGZBVWBHPW-UHFFFAOYSA-N |
| TotalMolweight | 569.683 |
| Molweight | 569.683 |
| MonoisotopicMass | 569.177312 |
| CLogP | 7.9875 |
| CLogS | -8.808 |
| H Acceptors | 6 |
| H Donors | 1 |
| TotalSurfaceArea | 443.09 |
| Relative PSA | 0.19712 |
| PolarSurfaceArea | 101.05 |
| Druglikeness | 5.6865 |
| Mutagenic | none |
| Tumorigenic | high |
| Reproductive Effective | high |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.47619 |
| Fragments | 1 |
| Non HAtoms | 42 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| Rotatable Bond | 10 |
| Rings Closures | 6 |
| Small Rings | 6 |
| Aromatic Rings | 6 |
| Aromatic Atoms | 33 |
| Sp3Atoms | 4 |
| Symmetricatoms | 4 |
| Aromatic Nitrogens | 1 |
| StereoCon |
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