(Z)-N-benzyl-3-[(Z)-naphthalen-1-ylmethylideneamino]-4-phenyl-1,3-thiazol-2-imine
Formula:C27H21N3S
Mutagenic:none
Tumorigenic:high
Reproductive Effective:none
(Z)-N-benzyl-3-[(Z)-naphthalen-1-ylmethylideneamino]-4-phenyl-1,3-thiazol-2-imine is not a drug-like molecule.
| MolName | (Z)-N-benzyl-3-[(Z)-naphthalen-1-ylmethylideneamino]-4-phenyl-1,3-thiazol-2-imine |
| MolecularFormula | C27H21N3S |
| Smiles | C(c1ccccc1)/N=C1\SC=C(c2ccccc2)N1/N=C\c1cccc2ccccc12 |
| InChI | InChI=1S/C27H21N3S/c1-3-10-21(11-4-1)18-28-27-30(26(20-31-27)23-13-5-2-6-14-23)29-19-24-16-9-15-22-12-7-8-17-25(22)24/h1-17,19-20H,18H2 |
| InChIK | MXJFMHMOEGUGEC-UHFFFAOYSA-N |
| TotalMolweight | 419.551 |
| Molweight | 419.551 |
| MonoisotopicMass | 419.145617 |
| CLogP | 6.6625 |
| CLogS | -7.401 |
| H Acceptors | 3 |
| TotalSurfaceArea | 327.87 |
| Relative PSA | 0.13438 |
| PolarSurfaceArea | 53.26 |
| Druglikeness | 4.5824 |
| Mutagenic | none |
| Tumorigenic | high |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | imine/hydrazone of aldehyde |
| Shape Index | 0.48387 |
| Fragments | 1 |
| Non HAtoms | 31 |
| NonCHAtoms | 4 |
| Electronegative Atoms | 4 |
| Rotatable Bond | 5 |
| Rings Closures | 5 |
| Small Rings | 5 |
| Aromatic Rings | 4 |
| Aromatic Atoms | 22 |
| Sp3Atoms | 2 |
| Symmetricatoms | 4 |
| BasicNitrogens | 1 |
| StereoCon |
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1 - (Z)-N-benzyl-3-[(Z)-naphthalen-1-ylmethylideneamino]-4-phenyl-1,3-thiazol-2-imine | 2 - (Z)-N-benzyl-3-[(Z)-naphthalen-1-ylmethylideneamino]-4-phenyl-1,3-thiazol-2-imine
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