(Z)-N-(3-benzylsulfanyl-5-phenyl-1,2,4-triazol-4-yl)-1-thiophen-2-ylmethanimine
Formula:C20H16N4S2
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(Z)-N-(3-benzylsulfanyl-5-phenyl-1,2,4-triazol-4-yl)-1-thiophen-2-ylmethanimine is a drug-like molecule.
| MolName | (Z)-N-(3-benzylsulfanyl-5-phenyl-1,2,4-triazol-4-yl)-1-thiophen-2-ylmethanimine |
| MolecularFormula | C20H16N4S2 |
| Smiles | C(c1ccccc1)Sc1nnc(-c2ccccc2)n1/N=C\c1cccs1 |
| InChI | InChI=1S/C20H16N4S2/c1-3-8-16(9-4-1)15-26-20-23-22-19(17-10-5-2-6-11-17)24(20)21-14-18-12-7-13-25-18/h1-14H,15H2 |
| InChIK | RJXQYXDSCFSEBQ-UHFFFAOYSA-N |
| TotalMolweight | 376.507 |
| Molweight | 376.507 |
| MonoisotopicMass | 376.081636 |
| CLogP | 4.9414 |
| CLogS | -8.663 |
| H Acceptors | 4 |
| TotalSurfaceArea | 291.21 |
| Relative PSA | 0.26843 |
| PolarSurfaceArea | 96.61 |
| Druglikeness | 5.1557 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | imine/hydrazone of aldehyde |
| Shape Index | 0.5 |
| Fragments | 1 |
| Non HAtoms | 26 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| Rotatable Bond | 6 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 4 |
| Aromatic Atoms | 22 |
| Sp3Atoms | 2 |
| Symmetricatoms | 4 |
| Aromatic Nitrogens | 3 |
| StereoCon |
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1 - (Z)-N-(3-benzylsulfanyl-5-phenyl-1,2,4-triazol-4-yl)-1-thiophen-2-ylmethanimine | 2 - (Z)-N-(3-benzylsulfanyl-5-phenyl-1,2,4-triazol-4-yl)-1-thiophen-2-ylmethanimine
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