N-[(Z)-[5-(1H-benzimidazol-2-ylsulfanyl)furan-2-yl]methylideneamino]-2-nitrobenzamide
Formula:C19H13N5O4S
Mutagenic:high
Tumorigenic:high
Reproductive Effective:none
N-[(Z)-[5-(1H-benzimidazol-2-ylsulfanyl)furan-2-yl]methylideneamino]-2-nitrobenzamide is a drug-like molecule.
| MolName | N-[(Z)-[5-(1H-benzimidazol-2-ylsulfanyl)furan-2-yl]methylideneamino]-2-nitrobenzamide |
| MolecularFormula | C19H13N5O4S |
| Smiles | [O-][N+](c(cccc1)c1C(N/N=C\c(o1)ccc1Sc1nc(cccc2)c2[nH]1)=O)=O |
| InChI | InChI=1S/C19H13N5O4S/c25-18(13-5-1-4-8-16(13)24(26)27)23-20-11-12-9-10-17(28-12)29-19-21-14-6-2-3-7-15(14)22-19/h1-11H,(H,21,22)(H,23,25) |
| InChIK | HSIVQGPZOBUWKX-UHFFFAOYSA-N |
| TotalMolweight | 407.409 |
| Molweight | 407.409 |
| MonoisotopicMass | 407.068825 |
| CLogP | 3.0585 |
| CLogS | -5.392 |
| H Acceptors | 9 |
| H Donors | 2 |
| TotalSurfaceArea | 300.53 |
| Relative PSA | 0.40924 |
| PolarSurfaceArea | 154.4 |
| Druglikeness | 1.7968 |
| Mutagenic | high |
| Tumorigenic | high |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | aromatic nitro; acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.58621 |
| Fragments | 1 |
| Non HAtoms | 29 |
| NonCHAtoms | 10 |
| Electronegative Atoms | 10 |
| Rotatable Bond | 6 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 4 |
| Aromatic Atoms | 20 |
| Sp3Atoms | 2 |
| Aromatic Nitrogens | 2 |
| BasicNitrogens | 1 |
| AcidicOxygens | 1 |
| StereoCon |
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1 - N-[(Z)-[5-(1H-benzimidazol-2-ylsulfanyl)furan-2-yl]methylideneamino]-2-nitrobenzamide | 2 - N-[(Z)-[5-(1H-benzimidazol-2-ylsulfanyl)furan-2-yl]methylideneamino]-2-nitrobenzamide
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