(5-phenyl-1,3,4-oxadiazol-2-yl)methyl 2-[[(E)-2-phenylethenyl]sulfonylamino]acetate
Formula:C19H17N3O5S
Mutagenic:none
Tumorigenic:none
Reproductive Effective:low
(5-phenyl-1,3,4-oxadiazol-2-yl)methyl 2-[[(E)-2-phenylethenyl]sulfonylamino]acetate is a drug-like molecule.
| MolName | (5-phenyl-1,3,4-oxadiazol-2-yl)methyl 2-[[(E)-2-phenylethenyl]sulfonylamino]acetate |
| MolecularFormula | C19H17N3O5S |
| Smiles | O=C(CNS(/C=C/c1ccccc1)(=O)=O)OCc1nnc(-c2ccccc2)o1 |
| InChI | InChI=1S/C19H17N3O5S/c23-18(13-20-28(24,25)12-11-15-7-3-1-4-8-15)26-14-17-21-22-19(27-17)16-9-5-2-6-10-16/h1-12,20H,13-14H2 |
| InChIK | AOPNXFMZUCUQJU-UHFFFAOYSA-N |
| TotalMolweight | 399.426 |
| Molweight | 399.426 |
| MonoisotopicMass | 399.088892 |
| CLogP | 2.0015 |
| CLogS | -4.838 |
| H Acceptors | 8 |
| H Donors | 1 |
| TotalSurfaceArea | 301.8 |
| Relative PSA | 0.32846 |
| PolarSurfaceArea | 119.77 |
| Druglikeness | 0.3473 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | low |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.67857 |
| Fragments | 1 |
| Non HAtoms | 28 |
| NonCHAtoms | 9 |
| Electronegative Atoms | 9 |
| Rotatable Bond | 8 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 17 |
| Sp3Atoms | 4 |
| Symmetricatoms | 5 |
| Amides | 1 |
| Aromatic Nitrogens | 2 |
| StereoCon |
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1 - (5-phenyl-1,3,4-oxadiazol-2-yl)methyl 2-[[(E)-2-phenylethenyl]sulfonylamino]acetate | 2 - (5-phenyl-1,3,4-oxadiazol-2-yl)methyl 2-[[(E)-2-phenylethenyl]sulfonylamino]acetate
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