N-[(Z)-(5-morpholin-4-ylthiophen-2-yl)methylideneamino]-4-nitrobenzamide
Formula:C16H16N4O4S
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N-[(Z)-(5-morpholin-4-ylthiophen-2-yl)methylideneamino]-4-nitrobenzamide is a drug-like molecule.
| MolName | N-[(Z)-(5-morpholin-4-ylthiophen-2-yl)methylideneamino]-4-nitrobenzamide |
| MolecularFormula | C16H16N4O4S |
| Smiles | [O-][N+](c(cc1)ccc1C(N/N=C\c1ccc(N2CCOCC2)s1)=O)=O |
| InChI | InChI=1S/C16H16N4O4S/c21-16(12-1-3-13(4-2-12)20(22)23)18-17-11-14-5-6-15(25-14)19-7-9-24-10-8-19/h1-6,11H,7-10H2,(H,18,21) |
| InChIK | DPGKSGJGLJIISC-UHFFFAOYSA-N |
| TotalMolweight | 360.393 |
| Molweight | 360.393 |
| MonoisotopicMass | 360.089226 |
| CLogP | 2.0052 |
| CLogS | -4.444 |
| H Acceptors | 8 |
| H Donors | 1 |
| TotalSurfaceArea | 268.44 |
| Relative PSA | 0.37379 |
| PolarSurfaceArea | 127.99 |
| Druglikeness | 1.2465 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | aromatic nitro; acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.68 |
| Fragments | 1 |
| Non HAtoms | 25 |
| NonCHAtoms | 9 |
| Electronegative Atoms | 9 |
| Rotatable Bond | 5 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 11 |
| Sp3Atoms | 6 |
| Symmetricatoms | 4 |
| AcidicOxygens | 1 |
| StereoCon |
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1 - N-[(Z)-(5-morpholin-4-ylthiophen-2-yl)methylideneamino]-4-nitrobenzamide | 2 - N-[(Z)-(5-morpholin-4-ylthiophen-2-yl)methylideneamino]-4-nitrobenzamide
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