N-(1,3-benzothiazol-2-yl)-N'-(4-fluorophenyl)sulfonylbenzenecarboximidamide
Formula:C20H14N3O2FS2
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N-(1,3-benzothiazol-2-yl)-N'-(4-fluorophenyl)sulfonylbenzenecarboximidamide is a drug-like molecule.
| MolName | N-(1,3-benzothiazol-2-yl)-N'-(4-fluorophenyl)sulfonylbenzenecarboximidamide |
| MolecularFormula | C20H14N3O2FS2 |
| Smiles | O=S(c(cc1)ccc1F)(/N=C(\c1ccccc1)/Nc1nc(cccc2)c2s1)=O |
| InChI | InChI=1S/C20H14FN3O2S2/c21-15-10-12-16(13-11-15)28(25,26)24-19(14-6-2-1-3-7-14)23-20-22-17-8-4-5-9-18(17)27-20/h1-13H,(H,22,23,24) |
| InChIK | XYOKQEQDQIMELI-UHFFFAOYSA-N |
| TotalMolweight | 411.48 |
| Molweight | 411.48 |
| MonoisotopicMass | 411.051145 |
| CLogP | 4.9129 |
| CLogS | -5.501 |
| H Acceptors | 5 |
| H Donors | 1 |
| TotalSurfaceArea | 291.44 |
| Relative PSA | 0.28438 |
| PolarSurfaceArea | 108.04 |
| Druglikeness | 0.4115 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.5 |
| Fragments | 1 |
| Non HAtoms | 28 |
| NonCHAtoms | 8 |
| Electronegative Atoms | 8 |
| Rotatable Bond | 3 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 4 |
| Aromatic Atoms | 21 |
| Sp3Atoms | 1 |
| Symmetricatoms | 5 |
| Aromatic Nitrogens | 1 |
| BasicNitrogens | 1 |
| StereoCon |
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