2-(1-phenyltetrazol-5-yl)sulfanyl-N-[(Z)-[4-(trifluoromethyl)phenyl]methylideneamino]acetamide
Formula:C17H13N6OF3S
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
2-(1-phenyltetrazol-5-yl)sulfanyl-N-[(Z)-[4-(trifluoromethyl)phenyl]methylideneamino]acetamide is a drug-like molecule.
| MolName | 2-(1-phenyltetrazol-5-yl)sulfanyl-N-[(Z)-[4-(trifluoromethyl)phenyl]methylideneamino]acetamide |
| MolecularFormula | C17H13N6OF3S |
| Smiles | O=C(CSc1nnnn1-c1ccccc1)N/N=C\c1ccc(C(F)(F)F)cc1 |
| InChI | InChI=1S/C17H13F3N6OS/c18-17(19,20)13-8-6-12(7-9-13)10-21-22-15(27)11-28-16-23-24-25-26(16)14-4-2-1-3-5-14/h1-10H,11H2,(H,22,27) |
| InChIK | WEPDKXVNEDXNIQ-UHFFFAOYSA-N |
| TotalMolweight | 406.391 |
| Molweight | 406.391 |
| MonoisotopicMass | 406.082363 |
| CLogP | 3.4034 |
| CLogS | -5.109 |
| H Acceptors | 7 |
| H Donors | 1 |
| TotalSurfaceArea | 292.94 |
| Relative PSA | 0.31843 |
| PolarSurfaceArea | 110.36 |
| Druglikeness | -3.4482 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.64286 |
| Fragments | 1 |
| Non HAtoms | 28 |
| NonCHAtoms | 11 |
| Electronegative Atoms | 11 |
| Rotatable Bond | 7 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 17 |
| Sp3Atoms | 3 |
| Symmetricatoms | 6 |
| Aromatic Nitrogens | 4 |
| StereoCon |
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