N-(1,3-benzodioxol-5-yl)-N'-thiophen-2-ylsulfonylbenzenecarboximidamide
Formula:C18H14N2O4S2
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N-(1,3-benzodioxol-5-yl)-N'-thiophen-2-ylsulfonylbenzenecarboximidamide is a drug-like molecule.
| MolName | N-(1,3-benzodioxol-5-yl)-N'-thiophen-2-ylsulfonylbenzenecarboximidamide |
| MolecularFormula | C18H14N2O4S2 |
| Smiles | O=S(c1cccs1)(/N=C(\c1ccccc1)/Nc(cc1)cc2c1OCO2)=O |
| InChI | InChI=1S/C18H14N2O4S2/c21-26(22,17-7-4-10-25-17)20-18(13-5-2-1-3-6-13)19-14-8-9-15-16(11-14)24-12-23-15/h1-11H,12H2,(H,19,20) |
| InChIK | DVQZTDQMAHIUAV-UHFFFAOYSA-N |
| TotalMolweight | 386.451 |
| Molweight | 386.451 |
| MonoisotopicMass | 386.039498 |
| CLogP | 4.1102 |
| CLogS | -4.848 |
| H Acceptors | 6 |
| H Donors | 1 |
| TotalSurfaceArea | 271.99 |
| Relative PSA | 0.33792 |
| PolarSurfaceArea | 113.61 |
| Druglikeness | -1.5267 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.46154 |
| Fragments | 1 |
| Non HAtoms | 26 |
| NonCHAtoms | 8 |
| Electronegative Atoms | 8 |
| Rotatable Bond | 3 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 17 |
| Sp3Atoms | 4 |
| Symmetricatoms | 3 |
| BasicNitrogens | 1 |
| StereoCon |
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