(NZ)-N-[phenyl-[4-[(Z)-C-phenyl-N-thiophen-2-ylsulfonylcarbonimidoyl]-1,4-diazepan-1-yl]methylidene]thiophene-2-sulfonamide
Formula:C27H26N4O4S4
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(NZ)-N-[phenyl-[4-[(Z)-C-phenyl-N-thiophen-2-ylsulfonylcarbonimidoyl]-1,4-diazepan-1-yl]methylidene]thiophene-2-sulfonamide is not a drug-like molecule.
| MolName | (NZ)-N-[phenyl-[4-[(Z)-C-phenyl-N-thiophen-2-ylsulfonylcarbonimidoyl]-1,4-diazepan-1-yl]methylidene]thiophene-2-sulfonamide |
| MolecularFormula | C27H26N4O4S4 |
| Smiles | O=S(c1cccs1)(/N=C(/c1ccccc1)\N(CCC1)CCN1/C(/c1ccccc1)=N\S(c1cccs1)(=O)=O)=O |
| InChI | InChI=1S/C27H26N4O4S4/c32-38(33,24-14-7-20-36-24)28-26(22-10-3-1-4-11-22)30-16-9-17-31(19-18-30)27(23-12-5-2-6-13-23)29-39(34,35)25-15-8-21-37-25/h1-8,10-15,20-21H,9,16-19H2 |
| InChIK | GQIIXIIJMHZNBN-UHFFFAOYSA-N |
| TotalMolweight | 598.791 |
| Molweight | 598.791 |
| MonoisotopicMass | 598.083686 |
| CLogP | 5.6692 |
| CLogS | -4.568 |
| H Acceptors | 8 |
| TotalSurfaceArea | 423.42 |
| Relative PSA | 0.3023 |
| PolarSurfaceArea | 172.72 |
| Druglikeness | 4.5949 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.41026 |
| Fragments | 1 |
| Non HAtoms | 39 |
| NonCHAtoms | 12 |
| Electronegative Atoms | 12 |
| Rotatable Bond | 4 |
| Rings Closures | 5 |
| Small Rings | 5 |
| Aromatic Rings | 4 |
| Aromatic Atoms | 22 |
| Sp3Atoms | 7 |
| Symmetricatoms | 22 |
| BasicNitrogens | 2 |
| StereoCon |
Click to Load Molecule:
1 - (NZ)-N-[phenyl-[4-[(Z)-C-phenyl-N-thiophen-2-ylsulfonylcarbonimidoyl]-1,4-diazepan-1-yl]methylidene]thiophene-2-sulfonamide | 2 - (NZ)-N-[phenyl-[4-[(Z)-C-phenyl-N-thiophen-2-ylsulfonylcarbonimidoyl]-1,4-diazepan-1-yl]methylidene]thiophene-2-sulfonamide
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