N-[(Z)-(4-bromothiophen-2-yl)methylideneamino]-5-nitro-1-benzothiophene-2-carboxamide
Formula:C14H8N3O3BrS2
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N-[(Z)-(4-bromothiophen-2-yl)methylideneamino]-5-nitro-1-benzothiophene-2-carboxamide is a drug-like molecule.
| MolName | N-[(Z)-(4-bromothiophen-2-yl)methylideneamino]-5-nitro-1-benzothiophene-2-carboxamide |
| MolecularFormula | C14H8N3O3BrS2 |
| Smiles | [O-][N+](c(cc1)cc2c1sc(C(N/N=C\c1cc(Br)cs1)=O)c2)=O |
| InChI | InChI=1S/C14H8BrN3O3S2/c15-9-5-11(22-7-9)6-16-17-14(19)13-4-8-3-10(18(20)21)1-2-12(8)23-13/h1-7H,(H,17,19) |
| InChIK | YTZRKFINOIAIFW-UHFFFAOYSA-N |
| TotalMolweight | 410.272 |
| Molweight | 410.272 |
| MonoisotopicMass | 408.919043 |
| CLogP | 3.793 |
| CLogS | -6.374 |
| H Acceptors | 6 |
| H Donors | 1 |
| TotalSurfaceArea | 255.77 |
| Relative PSA | 0.41893 |
| PolarSurfaceArea | 143.76 |
| Druglikeness | -4.7409 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | aromatic nitro; acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.65217 |
| Fragments | 1 |
| Non HAtoms | 23 |
| NonCHAtoms | 9 |
| Electronegative Atoms | 9 |
| Rotatable Bond | 4 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 14 |
| Sp3Atoms | 1 |
| AcidicOxygens | 1 |
| StereoCon |
Click to Load Molecule:
1 - N-[(Z)-(4-bromothiophen-2-yl)methylideneamino]-5-nitro-1-benzothiophene-2-carboxamide | 2 - N-[(Z)-(4-bromothiophen-2-yl)methylideneamino]-5-nitro-1-benzothiophene-2-carboxamide
Spacefill |
Wire |
Ball & Stick |
Iso-vdw |
Opaque |
Dot Surface |
Mep |
Translucent |
Spin |
Label On |
Off