N-[(Z)-(4-bromophenyl)methylideneamino]-2-(5-chloropyrimidin-2-yl)sulfanylacetamide
Formula:C13H10N4OBrClS
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N-[(Z)-(4-bromophenyl)methylideneamino]-2-(5-chloropyrimidin-2-yl)sulfanylacetamide is a drug-like molecule.
| MolName | N-[(Z)-(4-bromophenyl)methylideneamino]-2-(5-chloropyrimidin-2-yl)sulfanylacetamide |
| MolecularFormula | C13H10N4OBrClS |
| Smiles | O=C(CSc(nc1)ncc1Cl)N/N=C\c(cc1)ccc1Br |
| InChI | InChI=1S/C13H10BrClN4OS/c14-10-3-1-9(2-4-10)5-18-19-12(20)8-21-13-16-6-11(15)7-17-13/h1-7H,8H2,(H,19,20) |
| InChIK | VNYPFTJVDBGNRV-UHFFFAOYSA-N |
| TotalMolweight | 385.672 |
| Molweight | 385.672 |
| MonoisotopicMass | 383.944719 |
| CLogP | 3.4245 |
| CLogS | -4.598 |
| H Acceptors | 5 |
| H Donors | 1 |
| TotalSurfaceArea | 249.81 |
| Relative PSA | 0.30199 |
| PolarSurfaceArea | 92.54 |
| Druglikeness | 3.0228 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.7619 |
| Fragments | 1 |
| Non HAtoms | 21 |
| NonCHAtoms | 8 |
| Electronegative Atoms | 8 |
| Rotatable Bond | 5 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 2 |
| Symmetricatoms | 4 |
| Aromatic Nitrogens | 2 |
| StereoCon |
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