N,3-bis(3-methylphenyl)-4-(4-nitrophenyl)-1,3-thiazol-2-imine
Formula:C23H19N3O2S
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N,3-bis(3-methylphenyl)-4-(4-nitrophenyl)-1,3-thiazol-2-imine is a drug-like molecule.
| MolName | N,3-bis(3-methylphenyl)-4-(4-nitrophenyl)-1,3-thiazol-2-imine |
| MolecularFormula | C23H19N3O2S |
| Smiles | Cc1cccc(N(C(c(cc2)ccc2[N+]([O-])=O)=CS2)/C2=N/c2cc(C)ccc2)c1 |
| InChI | InChI=1S/C23H19N3O2S/c1-16-5-3-7-19(13-16)24-23-25(21-8-4-6-17(2)14-21)22(15-29-23)18-9-11-20(12-10-18)26(27)28/h3-15H,1-2H3 |
| InChIK | HYEUMCWBYNLBJR-UHFFFAOYSA-N |
| TotalMolweight | 401.489 |
| Molweight | 401.489 |
| MonoisotopicMass | 401.119797 |
| CLogP | 4.9674 |
| CLogS | -6.67 |
| H Acceptors | 5 |
| TotalSurfaceArea | 302.94 |
| Relative PSA | 0.20786 |
| PolarSurfaceArea | 86.72 |
| Druglikeness | -3.8177 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | aromatic nitro |
| Shape Index | 0.48276 |
| Fragments | 1 |
| Non HAtoms | 29 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| Rotatable Bond | 4 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 18 |
| Sp3Atoms | 4 |
| Symmetricatoms | 2 |
| AcidicOxygens | 1 |
| StereoCon |
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1 - N,3-bis(3-methylphenyl)-4-(4-nitrophenyl)-1,3-thiazol-2-imine | 2 - N,3-bis(3-methylphenyl)-4-(4-nitrophenyl)-1,3-thiazol-2-imine
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