N'-(benzenesulfonyl)-N-(1,3-benzothiazol-2-yl)benzenecarboximidamide
Formula:C20H15N3O2S2
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N'-(benzenesulfonyl)-N-(1,3-benzothiazol-2-yl)benzenecarboximidamide is a drug-like molecule.
| MolName | N'-(benzenesulfonyl)-N-(1,3-benzothiazol-2-yl)benzenecarboximidamide |
| MolecularFormula | C20H15N3O2S2 |
| Smiles | O=S(c1ccccc1)(/N=C(\c1ccccc1)/Nc1nc(cccc2)c2s1)=O |
| InChI | InChI=1S/C20H15N3O2S2/c24-27(25,16-11-5-2-6-12-16)23-19(15-9-3-1-4-10-15)22-20-21-17-13-7-8-14-18(17)26-20/h1-14H,(H,21,22,23) |
| InChIK | HVIPODQSGGDBKB-UHFFFAOYSA-N |
| TotalMolweight | 393.49 |
| Molweight | 393.49 |
| MonoisotopicMass | 393.060567 |
| CLogP | 4.8121 |
| CLogS | -5.187 |
| H Acceptors | 5 |
| H Donors | 1 |
| TotalSurfaceArea | 285.09 |
| Relative PSA | 0.29072 |
| PolarSurfaceArea | 108.04 |
| Druglikeness | -4.7279 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.48148 |
| Fragments | 1 |
| Non HAtoms | 27 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| 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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