N-[(Z)-(4-oxochromen-3-yl)methylideneamino]-2-[(4-phenyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]acetamide
Formula:C25H18N6O3S
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N-[(Z)-(4-oxochromen-3-yl)methylideneamino]-2-[(4-phenyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]acetamide is a drug-like molecule.
| MolName | N-[(Z)-(4-oxochromen-3-yl)methylideneamino]-2-[(4-phenyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]acetamide |
| MolecularFormula | C25H18N6O3S |
| Smiles | O=C(CSc1nnc(-c2ccncc2)n1-c1ccccc1)N/N=C\C1=COc(cccc2)c2C1=O |
| InChI | InChI=1S/C25H18N6O3S/c32-22(28-27-14-18-15-34-21-9-5-4-8-20(21)23(18)33)16-35-25-30-29-24(17-10-12-26-13-11-17)31(25)19-6-2-1-3-7-19/h1-15H,16H2,(H,28,32) |
| InChIK | VWTLOLQDTICFHP-UHFFFAOYSA-N |
| TotalMolweight | 482.523 |
| Molweight | 482.523 |
| MonoisotopicMass | 482.116109 |
| CLogP | 2.6483 |
| CLogS | -8.171 |
| H Acceptors | 9 |
| H Donors | 1 |
| TotalSurfaceArea | 362.2 |
| Relative PSA | 0.32115 |
| PolarSurfaceArea | 136.66 |
| Druglikeness | 5.9799 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | twice activated DB; acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.54286 |
| Fragments | 1 |
| Non HAtoms | 35 |
| NonCHAtoms | 10 |
| Electronegative Atoms | 10 |
| Rotatable Bond | 7 |
| Rings Closures | 5 |
| Small Rings | 5 |
| Aromatic Rings | 4 |
| Aromatic Atoms | 23 |
| Sp3Atoms | 3 |
| Symmetricatoms | 4 |
| Aromatic Nitrogens | 4 |
| StereoCon |
Click to Load Molecule:
1 - N-[(Z)-(4-oxochromen-3-yl)methylideneamino]-2-[(4-phenyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]acetamide | 2 - N-[(Z)-(4-oxochromen-3-yl)methylideneamino]-2-[(4-phenyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]acetamide
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