(1-phenyltetrazol-5-yl) (1Z)-N-(4-bromoanilino)-2-oxo-2-phenylethanimidothioate
Formula:C21H15N6OBrS
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(1-phenyltetrazol-5-yl) (1Z)-N-(4-bromoanilino)-2-oxo-2-phenylethanimidothioate is not a drug-like molecule.
| MolName | (1-phenyltetrazol-5-yl) (1Z)-N-(4-bromoanilino)-2-oxo-2-phenylethanimidothioate |
| MolecularFormula | C21H15N6OBrS |
| Smiles | O=C(/C(/Sc1nnnn1-c1ccccc1)=N/Nc(cc1)ccc1Br)c1ccccc1 |
| InChI | InChI=1S/C21H15BrN6OS/c22-16-11-13-17(14-12-16)23-24-20(19(29)15-7-3-1-4-8-15)30-21-25-26-27-28(21)18-9-5-2-6-10-18/h1-14,23H |
| InChIK | GLYVIJNSKCFJRJ-UHFFFAOYSA-N |
| TotalMolweight | 479.361 |
| Molweight | 479.361 |
| MonoisotopicMass | 478.02114 |
| CLogP | 5.1776 |
| CLogS | -5.273 |
| H Acceptors | 7 |
| H Donors | 1 |
| TotalSurfaceArea | 326.32 |
| Relative PSA | 0.28585 |
| PolarSurfaceArea | 110.36 |
| Druglikeness | 0.3765 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.5 |
| Fragments | 1 |
| Non HAtoms | 30 |
| NonCHAtoms | 9 |
| Electronegative Atoms | 9 |
| Rotatable Bond | 7 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 4 |
| Aromatic Atoms | 23 |
| Sp3Atoms | 1 |
| Symmetricatoms | 6 |
| Aromatic Nitrogens | 4 |
| StereoCon |
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