2-(1-benzylbenzimidazol-2-yl)sulfanyl-N-[(Z)-(3-phenoxyphenyl)methylideneamino]acetamide
Formula:C29H24N4O2S
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
2-(1-benzylbenzimidazol-2-yl)sulfanyl-N-[(Z)-(3-phenoxyphenyl)methylideneamino]acetamide is not a drug-like molecule.
| MolName | 2-(1-benzylbenzimidazol-2-yl)sulfanyl-N-[(Z)-(3-phenoxyphenyl)methylideneamino]acetamide |
| MolecularFormula | C29H24N4O2S |
| Smiles | O=C(CSc1nc(cccc2)c2n1Cc1ccccc1)N/N=C\c1cc(Oc2ccccc2)ccc1 |
| InChI | InChI=1S/C29H24N4O2S/c34-28(32-30-19-23-12-9-15-25(18-23)35-24-13-5-2-6-14-24)21-36-29-31-26-16-7-8-17-27(26)33(29)20-22-10-3-1-4-11-22/h1-19H,20-21H2,(H,32,34) |
| InChIK | DYUFWEOUISTCPV-UHFFFAOYSA-N |
| TotalMolweight | 492.602 |
| Molweight | 492.602 |
| MonoisotopicMass | 492.161996 |
| CLogP | 6.142 |
| CLogS | -6.993 |
| H Acceptors | 6 |
| H Donors | 1 |
| TotalSurfaceArea | 384.08 |
| Relative PSA | 0.21178 |
| PolarSurfaceArea | 93.81 |
| Druglikeness | 6.1608 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.58333 |
| Fragments | 1 |
| Non HAtoms | 36 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| Rotatable Bond | 9 |
| Rings Closures | 5 |
| Small Rings | 5 |
| Aromatic Rings | 5 |
| Aromatic Atoms | 27 |
| Sp3Atoms | 4 |
| Symmetricatoms | 4 |
| Aromatic Nitrogens | 2 |
| BasicNitrogens | 1 |
| StereoCon |
Click to Load Molecule:
1 - 2-(1-benzylbenzimidazol-2-yl)sulfanyl-N-[(Z)-(3-phenoxyphenyl)methylideneamino]acetamide | 2 - 2-(1-benzylbenzimidazol-2-yl)sulfanyl-N-[(Z)-(3-phenoxyphenyl)methylideneamino]acetamide
Spacefill |
Wire |
Ball & Stick |
Iso-vdw |
Opaque |
Dot Surface |
Mep |
Translucent |
Spin |
Label On |
Off