N'-[(Z)-(2-chlorophenyl)methylideneamino]-N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)oxamide
Formula:C18H15N4O2ClS
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N'-[(Z)-(2-chlorophenyl)methylideneamino]-N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)oxamide is a drug-like molecule.
| MolName | N'-[(Z)-(2-chlorophenyl)methylideneamino]-N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)oxamide |
| MolecularFormula | C18H15N4O2ClS |
| Smiles | N#Cc1c(NC(C(N/N=C\c(cccc2)c2Cl)=O)=O)sc2c1CCCC2 |
| InChI | InChI=1S/C18H15ClN4O2S/c19-14-7-3-1-5-11(14)10-21-23-17(25)16(24)22-18-13(9-20)12-6-2-4-8-15(12)26-18/h1,3,5,7,10H,2,4,6,8H2,(H,22,24)(H,23,25) |
| InChIK | KAHDDLRZOVXHDY-UHFFFAOYSA-N |
| TotalMolweight | 386.862 |
| Molweight | 386.862 |
| MonoisotopicMass | 386.060423 |
| CLogP | 3.7985 |
| CLogS | -6.286 |
| H Acceptors | 6 |
| H Donors | 2 |
| TotalSurfaceArea | 290.81 |
| Relative PSA | 0.32471 |
| PolarSurfaceArea | 122.59 |
| Druglikeness | -4.2813 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde; limit! oxal-diamide |
| Shape Index | 0.57692 |
| Fragments | 1 |
| Non HAtoms | 26 |
| NonCHAtoms | 8 |
| Electronegative Atoms | 8 |
| Rotatable Bond | 4 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 11 |
| Sp3Atoms | 4 |
| Amides | 1 |
| StereoCon |
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1 - N'-[(Z)-(2-chlorophenyl)methylideneamino]-N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)oxamide | 2 - N'-[(Z)-(2-chlorophenyl)methylideneamino]-N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)oxamide
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