N-[5-(benzimidazol-2-ylidenemethyl)-4-hydroxy-2-sulfanylidene-1,3-thiazol-3-yl]-4-bromobenzamide
Formula:C18H11N4O2BrS2
Mutagenic:none
Tumorigenic:none
Reproductive Effective:high
N-[5-(benzimidazol-2-ylidenemethyl)-4-hydroxy-2-sulfanylidene-1,3-thiazol-3-yl]-4-bromobenzamide is a drug-like molecule.
| MolName | N-[5-(benzimidazol-2-ylidenemethyl)-4-hydroxy-2-sulfanylidene-1,3-thiazol-3-yl]-4-bromobenzamide |
| MolecularFormula | C18H11N4O2BrS2 |
| Smiles | OC(N1NC(c(cc2)ccc2Br)=O)=C(C=C2N=C(C=CC=C3)C3=N2)SC1=S |
| InChI | InChI=1S/C18H11BrN4O2S2/c19-11-7-5-10(6-8-11)16(24)22-23-17(25)14(27-18(23)26)9-15-20-12-3-1-2-4-13(12)21-15/h1-9,25H,(H,22,24) |
| InChIK | VCPRJYXDRVRYKF-UHFFFAOYSA-N |
| TotalMolweight | 459.347 |
| Molweight | 459.347 |
| MonoisotopicMass | 457.950677 |
| CLogP | 1.651 |
| CLogS | -7.745 |
| H Acceptors | 6 |
| H Donors | 2 |
| TotalSurfaceArea | 294.02 |
| Relative PSA | 0.37297 |
| PolarSurfaceArea | 134.68 |
| Druglikeness | 2.818 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | high |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.59259 |
| Fragments | 1 |
| Non HAtoms | 27 |
| NonCHAtoms | 9 |
| Electronegative Atoms | 9 |
| Rotatable Bond | 3 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 1 |
| Aromatic Atoms | 6 |
| Sp3Atoms | 3 |
| Symmetricatoms | 6 |
| StereoCon |
Click to Load Molecule:
1 - N-[5-(benzimidazol-2-ylidenemethyl)-4-hydroxy-2-sulfanylidene-1,3-thiazol-3-yl]-4-bromobenzamide | 2 - N-[5-(benzimidazol-2-ylidenemethyl)-4-hydroxy-2-sulfanylidene-1,3-thiazol-3-yl]-4-bromobenzamide
Spacefill |
Wire |
Ball & Stick |
Iso-vdw |
Opaque |
Dot Surface |
Mep |
Translucent |
Spin |
Label On |
Off