(NZ)-N-[phenyl-[4-[(Z)-C-phenyl-N-thiophen-2-ylsulfonylcarbonimidoyl]piperazin-1-yl]methylidene]thiophene-2-sulfonamide
Formula:C26H24N4O4S4
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(NZ)-N-[phenyl-[4-[(Z)-C-phenyl-N-thiophen-2-ylsulfonylcarbonimidoyl]piperazin-1-yl]methylidene]thiophene-2-sulfonamide is not a drug-like molecule.
| MolName | (NZ)-N-[phenyl-[4-[(Z)-C-phenyl-N-thiophen-2-ylsulfonylcarbonimidoyl]piperazin-1-yl]methylidene]thiophene-2-sulfonamide |
| MolecularFormula | C26H24N4O4S4 |
| Smiles | O=S(c1cccs1)(/N=C(/c1ccccc1)\N(CC1)CCN1/C(/c1ccccc1)=N\S(c1cccs1)(=O)=O)=O |
| InChI | InChI=1S/C26H24N4O4S4/c31-37(32,23-13-7-19-35-23)27-25(21-9-3-1-4-10-21)29-15-17-30(18-16-29)26(22-11-5-2-6-12-22)28-38(33,34)24-14-8-20-36-24/h1-14,19-20H,15-18H2 |
| InChIK | CAOKEEGDLGKKGQ-UHFFFAOYSA-N |
| TotalMolweight | 584.765 |
| Molweight | 584.765 |
| MonoisotopicMass | 584.068036 |
| CLogP | 5.3272 |
| CLogS | -4.298 |
| H Acceptors | 8 |
| TotalSurfaceArea | 409.66 |
| Relative PSA | 0.31245 |
| PolarSurfaceArea | 172.72 |
| Druglikeness | 7.1176 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.42105 |
| Fragments | 1 |
| Non HAtoms | 38 |
| NonCHAtoms | 12 |
| Electronegative Atoms | 12 |
| Rotatable Bond | 4 |
| Rings Closures | 5 |
| Small Rings | 5 |
| Aromatic Rings | 4 |
| Aromatic Atoms | 22 |
| Sp3Atoms | 6 |
| Symmetricatoms | 23 |
| BasicNitrogens | 2 |
| StereoCon |
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1 - (NZ)-N-[phenyl-[4-[(Z)-C-phenyl-N-thiophen-2-ylsulfonylcarbonimidoyl]piperazin-1-yl]methylidene]thiophene-2-sulfonamide | 2 - (NZ)-N-[phenyl-[4-[(Z)-C-phenyl-N-thiophen-2-ylsulfonylcarbonimidoyl]piperazin-1-yl]methylidene]thiophene-2-sulfonamide
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