2-(1H-benzimidazol-2-ylsulfanyl)-N-[(Z)-[(E)-3-(2-nitrophenyl)prop-2-enylidene]amino]acetamide
Formula:C18H15N5O3S
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
2-(1H-benzimidazol-2-ylsulfanyl)-N-[(Z)-[(E)-3-(2-nitrophenyl)prop-2-enylidene]amino]acetamide is a drug-like molecule.
| MolName | 2-(1H-benzimidazol-2-ylsulfanyl)-N-[(Z)-[(E)-3-(2-nitrophenyl)prop-2-enylidene]amino]acetamide |
| MolecularFormula | C18H15N5O3S |
| Smiles | [O-][N+](c1c(/C=C/C=N\NC(CSc2nc(cccc3)c3[nH]2)=O)cccc1)=O |
| InChI | InChI=1S/C18H15N5O3S/c24-17(12-27-18-20-14-8-2-3-9-15(14)21-18)22-19-11-5-7-13-6-1-4-10-16(13)23(25)26/h1-11H,12H2,(H,20,21)(H,22,24) |
| InChIK | VRAYFUBETQWEMJ-UHFFFAOYSA-N |
| TotalMolweight | 381.415 |
| Molweight | 381.415 |
| MonoisotopicMass | 381.08956 |
| CLogP | 2.1824 |
| CLogS | -4.995 |
| H Acceptors | 8 |
| H Donors | 2 |
| TotalSurfaceArea | 291.34 |
| Relative PSA | 0.37372 |
| PolarSurfaceArea | 141.26 |
| Druglikeness | -0.089134 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | aromatic nitro; acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.62963 |
| Fragments | 1 |
| Non HAtoms | 27 |
| NonCHAtoms | 9 |
| Electronegative Atoms | 9 |
| Rotatable Bond | 7 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 15 |
| Sp3Atoms | 3 |
| Aromatic Nitrogens | 2 |
| BasicNitrogens | 1 |
| AcidicOxygens | 1 |
| StereoCon |
Click to Load Molecule:
1 - 2-(1H-benzimidazol-2-ylsulfanyl)-N-[(Z)-[(E)-3-(2-nitrophenyl)prop-2-enylidene]amino]acetamide | 2 - 2-(1H-benzimidazol-2-ylsulfanyl)-N-[(Z)-[(E)-3-(2-nitrophenyl)prop-2-enylidene]amino]acetamide
Spacefill |
Wire |
Ball & Stick |
Iso-vdw |
Opaque |
Dot Surface |
Mep |
Translucent |
Spin |
Label On |
Off