N-[(Z)-(3-nitrophenyl)methylideneamino]-4-[(4-phenyl-1,3-thiazol-2-yl)amino]benzamide
Formula:C23H17N5O3S
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N-[(Z)-(3-nitrophenyl)methylideneamino]-4-[(4-phenyl-1,3-thiazol-2-yl)amino]benzamide is not a drug-like molecule.
| MolName | N-[(Z)-(3-nitrophenyl)methylideneamino]-4-[(4-phenyl-1,3-thiazol-2-yl)amino]benzamide |
| MolecularFormula | C23H17N5O3S |
| Smiles | [O-][N+](c1cccc(/C=N\NC(c(cc2)ccc2Nc2nc(-c3ccccc3)cs2)=O)c1)=O |
| InChI | InChI=1S/C23H17N5O3S/c29-22(27-24-14-16-5-4-8-20(13-16)28(30)31)18-9-11-19(12-10-18)25-23-26-21(15-32-23)17-6-2-1-3-7-17/h1-15H,(H,25,26)(H,27,29) |
| InChIK | KFWOPIRPJZOHDA-UHFFFAOYSA-N |
| TotalMolweight | 443.486 |
| Molweight | 443.486 |
| MonoisotopicMass | 443.10521 |
| CLogP | 5.0155 |
| CLogS | -7.27 |
| H Acceptors | 8 |
| H Donors | 2 |
| TotalSurfaceArea | 336.34 |
| Relative PSA | 0.32473 |
| PolarSurfaceArea | 140.44 |
| Druglikeness | 0.68725 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | aromatic nitro; limit! thiazol-2-ylamine; acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.65625 |
| Fragments | 1 |
| Non HAtoms | 32 |
| NonCHAtoms | 9 |
| Electronegative Atoms | 9 |
| Rotatable Bond | 7 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 4 |
| Aromatic Atoms | 23 |
| Sp3Atoms | 1 |
| Symmetricatoms | 4 |
| Aromatic Nitrogens | 1 |
| BasicNitrogens | 1 |
| AcidicOxygens | 1 |
| StereoCon |
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