N-[(Z)-[4-[(2-cyanophenyl)methoxy]phenyl]methylideneamino]-4-[(4-phenyl-1,3-thiazol-2-yl)amino]benzamide
Formula:C31H23N5O2S
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N-[(Z)-[4-[(2-cyanophenyl)methoxy]phenyl]methylideneamino]-4-[(4-phenyl-1,3-thiazol-2-yl)amino]benzamide is not a drug-like molecule.
| MolName | N-[(Z)-[4-[(2-cyanophenyl)methoxy]phenyl]methylideneamino]-4-[(4-phenyl-1,3-thiazol-2-yl)amino]benzamide |
| MolecularFormula | C31H23N5O2S |
| Smiles | N#Cc1c(COc2ccc(/C=N\NC(c(cc3)ccc3Nc3nc(-c4ccccc4)cs3)=O)cc2)cccc1 |
| InChI | InChI=1S/C31H23N5O2S/c32-18-25-8-4-5-9-26(25)20-38-28-16-10-22(11-17-28)19-33-36-30(37)24-12-14-27(15-13-24)34-31-35-29(21-39-31)23-6-2-1-3-7-23/h1-17,19,21H,20H2,(H,34,35)(H,36,37) |
| InChIK | AZZSJVXAJYOUNX-UHFFFAOYSA-N |
| TotalMolweight | 529.623 |
| Molweight | 529.623 |
| MonoisotopicMass | 529.157245 |
| CLogP | 7.2912 |
| CLogS | -8.924 |
| H Acceptors | 7 |
| H Donors | 2 |
| TotalSurfaceArea | 417.9 |
| Relative PSA | 0.24494 |
| PolarSurfaceArea | 127.64 |
| Druglikeness | 1.212 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | limit! thiazol-2-ylamine; acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.66667 |
| Fragments | 1 |
| Non HAtoms | 39 |
| NonCHAtoms | 8 |
| Electronegative Atoms | 8 |
| Rotatable Bond | 9 |
| Rings Closures | 5 |
| Small Rings | 5 |
| Aromatic Rings | 5 |
| Aromatic Atoms | 29 |
| Sp3Atoms | 2 |
| Symmetricatoms | 6 |
| Aromatic Nitrogens | 1 |
| BasicNitrogens | 1 |
| StereoCon |
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1 - N-[(Z)-[4-[(2-cyanophenyl)methoxy]phenyl]methylideneamino]-4-[(4-phenyl-1,3-thiazol-2-yl)amino]benzamide | 2 - N-[(Z)-[4-[(2-cyanophenyl)methoxy]phenyl]methylideneamino]-4-[(4-phenyl-1,3-thiazol-2-yl)amino]benzamide
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