N-[(Z)-(5-bromo-2-phenylmethoxyphenyl)methylideneamino]-2-(5-phenyltetrazol-1-yl)sulfanylacetamide
Formula:C23H19N6O2BrS
Mutagenic:high
Tumorigenic:none
Reproductive Effective:none
N-[(Z)-(5-bromo-2-phenylmethoxyphenyl)methylideneamino]-2-(5-phenyltetrazol-1-yl)sulfanylacetamide is not a drug-like molecule.
| MolName | N-[(Z)-(5-bromo-2-phenylmethoxyphenyl)methylideneamino]-2-(5-phenyltetrazol-1-yl)sulfanylacetamide |
| MolecularFormula | C23H19N6O2BrS |
| Smiles | O=C(CSn1nnnc1-c1ccccc1)N/N=C\c(cc(cc1)Br)c1OCc1ccccc1 |
| InChI | InChI=1S/C23H19BrN6O2S/c24-20-11-12-21(32-15-17-7-3-1-4-8-17)19(13-20)14-25-26-22(31)16-33-30-23(27-28-29-30)18-9-5-2-6-10-18/h1-14H,15-16H2,(H,26,31) |
| InChIK | LSODIIDACATVNP-UHFFFAOYSA-N |
| TotalMolweight | 523.414 |
| Molweight | 523.414 |
| MonoisotopicMass | 522.047355 |
| CLogP | 4.5129 |
| CLogS | -7.237 |
| H Acceptors | 8 |
| H Donors | 1 |
| TotalSurfaceArea | 365.63 |
| Relative PSA | 0.28247 |
| PolarSurfaceArea | 119.59 |
| Druglikeness | 1.2935 |
| Mutagenic | high |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.60606 |
| Fragments | 1 |
| Non HAtoms | 33 |
| NonCHAtoms | 10 |
| Electronegative Atoms | 10 |
| Rotatable Bond | 9 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 4 |
| Aromatic Atoms | 23 |
| Sp3Atoms | 4 |
| Symmetricatoms | 4 |
| Aromatic Nitrogens | 4 |
| StereoCon |
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