N-[(Z)-(3-bromophenyl)methylideneamino]-2-pyrimidin-2-ylsulfanylacetamide
Formula:C13H11N4OBrS
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N-[(Z)-(3-bromophenyl)methylideneamino]-2-pyrimidin-2-ylsulfanylacetamide is a drug-like molecule.
| MolName | N-[(Z)-(3-bromophenyl)methylideneamino]-2-pyrimidin-2-ylsulfanylacetamide |
| MolecularFormula | C13H11N4OBrS |
| Smiles | O=C(CSc1ncccn1)N/N=C\c1cccc(Br)c1 |
| InChI | InChI=1S/C13H11BrN4OS/c14-11-4-1-3-10(7-11)8-17-18-12(19)9-20-13-15-5-2-6-16-13/h1-8H,9H2,(H,18,19) |
| InChIK | KTGHADRPWNIMBC-UHFFFAOYSA-N |
| TotalMolweight | 351.227 |
| Molweight | 351.227 |
| MonoisotopicMass | 349.983692 |
| CLogP | 2.8185 |
| CLogS | -3.862 |
| H Acceptors | 5 |
| H Donors | 1 |
| TotalSurfaceArea | 234.39 |
| Relative PSA | 0.32186 |
| PolarSurfaceArea | 92.54 |
| Druglikeness | 3.0028 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.7 |
| Fragments | 1 |
| Non HAtoms | 20 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| Rotatable Bond | 5 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 2 |
| Symmetricatoms | 2 |
| Aromatic Nitrogens | 2 |
| StereoCon |
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