[(E)-[1-amino-3-[2,1,3-benzothiadiazol-4-ylsulfonyl(furan-2-ylmethyl)amino]propylidene]amino] N-[4-(trifluoromethoxy)phenyl]carbamate
Formula:C22H19N6O6F3S2
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
[(E)-[1-amino-3-[2,1,3-benzothiadiazol-4-ylsulfonyl(furan-2-ylmethyl)amino]propylidene]amino] N-[4-(trifluoromethoxy)phenyl]carbamate is not a drug-like molecule.
| MolName | [(E)-[1-amino-3-[2,1,3-benzothiadiazol-4-ylsulfonyl(furan-2-ylmethyl)amino]propylidene]amino] N-[4-(trifluoromethoxy)phenyl]carbamate |
| MolecularFormula | C22H19N6O6F3S2 |
| Smiles | N/C(/CCN(Cc1ccco1)S(c1cccc2nsnc12)(=O)=O)=N/OC(Nc(cc1)ccc1OC(F)(F)F)=O |
| InChI | InChI=1S/C22H19F3N6O6S2/c23-22(24,25)36-15-8-6-14(7-9-15)27-21(32)37-28-19(26)10-11-31(13-16-3-2-12-35-16)39(33,34)18-5-1-4-17-20(18)30-38-29-17/h1-9,12H,10-11,13H2,(H2,26,28)(H,27,32) |
| InChIK | WOKZLAPBPBUHJU-UHFFFAOYSA-N |
| TotalMolweight | 584.555 |
| Molweight | 584.555 |
| MonoisotopicMass | 584.075958 |
| CLogP | 4.6063 |
| CLogS | -1.883 |
| H Acceptors | 12 |
| H Donors | 2 |
| TotalSurfaceArea | 400.85 |
| Relative PSA | 0.3987 |
| PolarSurfaceArea | 198.86 |
| Druglikeness | -14.191 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.51282 |
| Fragments | 1 |
| Non HAtoms | 39 |
| NonCHAtoms | 17 |
| Electronegative Atoms | 17 |
| Rotatable Bond | 11 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 4 |
| Aromatic Atoms | 20 |
| Sp3Atoms | 7 |
| Symmetricatoms | 5 |
| Amides | 2 |
| Aromatic Nitrogens | 2 |
| StereoCon |
Click to Load Molecule:
1 - [(E)-[1-amino-3-[2,1,3-benzothiadiazol-4-ylsulfonyl(furan-2-ylmethyl)amino]propylidene]amino] N-[4-(trifluoromethoxy)phenyl]carbamate | 2 - [(E)-[1-amino-3-[2,1,3-benzothiadiazol-4-ylsulfonyl(furan-2-ylmethyl)amino]propylidene]amino] N-[4-(trifluoromethoxy)phenyl]carbamate
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