N'-(benzenesulfonyl)-N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)benzenecarboximidamide
Formula:C18H16N4O2S2
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N'-(benzenesulfonyl)-N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)benzenecarboximidamide is a drug-like molecule.
| MolName | N'-(benzenesulfonyl)-N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)benzenecarboximidamide |
| MolecularFormula | C18H16N4O2S2 |
| Smiles | O=S(c1ccccc1)(/N=C(/c1ccccc1)\Nc1nnc(C2CC2)s1)=O |
| InChI | InChI=1S/C18H16N4O2S2/c23-26(24,15-9-5-2-6-10-15)22-16(13-7-3-1-4-8-13)19-18-21-20-17(25-18)14-11-12-14/h1-10,14H,11-12H2,(H,19,21,22) |
| InChIK | FMIDHHHLIOHDMC-UHFFFAOYSA-N |
| TotalMolweight | 384.483 |
| Molweight | 384.483 |
| MonoisotopicMass | 384.071466 |
| CLogP | 3.9635 |
| CLogS | -4.384 |
| H Acceptors | 6 |
| H Donors | 1 |
| TotalSurfaceArea | 275.77 |
| Relative PSA | 0.34032 |
| PolarSurfaceArea | 120.93 |
| Druglikeness | -2.467 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.5 |
| Fragments | 1 |
| Non HAtoms | 26 |
| NonCHAtoms | 8 |
| Electronegative Atoms | 8 |
| Rotatable Bond | 4 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 17 |
| Sp3Atoms | 4 |
| Symmetricatoms | 6 |
| Aromatic Nitrogens | 2 |
| BasicNitrogens | 1 |
| StereoCon |
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