N-[(Z)-[2-(1,3-benzothiazol-2-ylsulfanyl)cyclohexen-1-yl]methylideneamino]-1H-indole-7-carboxamide
Formula:C23H20N4OS2
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N-[(Z)-[2-(1,3-benzothiazol-2-ylsulfanyl)cyclohexen-1-yl]methylideneamino]-1H-indole-7-carboxamide is not a drug-like molecule.
| MolName | N-[(Z)-[2-(1,3-benzothiazol-2-ylsulfanyl)cyclohexen-1-yl]methylideneamino]-1H-indole-7-carboxamide |
| MolecularFormula | C23H20N4OS2 |
| Smiles | O=C(c1c2[nH]ccc2ccc1)N/N=C\C(CCCC1)=C1Sc1nc(cccc2)c2s1 |
| InChI | InChI=1S/C23H20N4OS2/c28-22(17-8-5-7-15-12-13-24-21(15)17)27-25-14-16-6-1-3-10-19(16)29-23-26-18-9-2-4-11-20(18)30-23/h2,4-5,7-9,11-14,24H,1,3,6,10H2,(H,27,28) |
| InChIK | LWOXQHOKEHOEGF-UHFFFAOYSA-N |
| TotalMolweight | 432.571 |
| Molweight | 432.571 |
| MonoisotopicMass | 432.107851 |
| CLogP | 5.0744 |
| CLogS | -6.898 |
| H Acceptors | 5 |
| H Donors | 2 |
| TotalSurfaceArea | 322.41 |
| Relative PSA | 0.3065 |
| PolarSurfaceArea | 123.68 |
| Druglikeness | 0.68644 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.53333 |
| Fragments | 1 |
| Non HAtoms | 30 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| Rotatable Bond | 5 |
| Rings Closures | 5 |
| Small Rings | 5 |
| Aromatic Rings | 4 |
| Aromatic Atoms | 18 |
| Sp3Atoms | 5 |
| Aromatic Nitrogens | 2 |
| StereoCon |
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1 - N-[(Z)-[2-(1,3-benzothiazol-2-ylsulfanyl)cyclohexen-1-yl]methylideneamino]-1H-indole-7-carboxamide | 2 - N-[(Z)-[2-(1,3-benzothiazol-2-ylsulfanyl)cyclohexen-1-yl]methylideneamino]-1H-indole-7-carboxamide
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