N-[(Z)-(1,3-diphenylpyrazol-4-yl)methylideneamino]-2-(1-phenyltetrazol-5-yl)sulfanylacetamide
Formula:C25H20N8OS
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N-[(Z)-(1,3-diphenylpyrazol-4-yl)methylideneamino]-2-(1-phenyltetrazol-5-yl)sulfanylacetamide is a drug-like molecule.
| MolName | N-[(Z)-(1,3-diphenylpyrazol-4-yl)methylideneamino]-2-(1-phenyltetrazol-5-yl)sulfanylacetamide |
| MolecularFormula | C25H20N8OS |
| Smiles | O=C(CSc1nnnn1-c1ccccc1)N/N=C\c1cn(-c2ccccc2)nc1-c1ccccc1 |
| InChI | InChI=1S/C25H20N8OS/c34-23(18-35-25-28-30-31-33(25)22-14-8-3-9-15-22)27-26-16-20-17-32(21-12-6-2-7-13-21)29-24(20)19-10-4-1-5-11-19/h1-17H,18H2,(H,27,34) |
| InChIK | HQJVAPPUHFSZRF-UHFFFAOYSA-N |
| TotalMolweight | 480.555 |
| Molweight | 480.555 |
| MonoisotopicMass | 480.148077 |
| CLogP | 3.4741 |
| CLogS | -5.844 |
| H Acceptors | 9 |
| H Donors | 1 |
| TotalSurfaceArea | 370.96 |
| Relative PSA | 0.29955 |
| PolarSurfaceArea | 128.18 |
| Druglikeness | 4.5217 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.54286 |
| Fragments | 1 |
| Non HAtoms | 35 |
| NonCHAtoms | 10 |
| Electronegative Atoms | 10 |
| Rotatable Bond | 8 |
| Rings Closures | 5 |
| Small Rings | 5 |
| Aromatic Rings | 5 |
| Aromatic Atoms | 28 |
| Sp3Atoms | 2 |
| Symmetricatoms | 6 |
| Aromatic Nitrogens | 6 |
| StereoCon |
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