(1R,2R)-2-phenyl-N-[(Z)-[5-(4-sulfamoylphenyl)furan-2-yl]methylideneamino]cyclopropane-1-carboxamide
Formula:C21H19N3O4S
Mutagenic:high
Tumorigenic:high
Reproductive Effective:none
(1R,2R)-2-phenyl-N-[(Z)-[5-(4-sulfamoylphenyl)furan-2-yl]methylideneamino]cyclopropane-1-carboxamide is a drug-like molecule.
| MolName | (1R,2R)-2-phenyl-N-[(Z)-[5-(4-sulfamoylphenyl)furan-2-yl]methylideneamino]cyclopropane-1-carboxamide |
| MolecularFormula | C21H19N3O4S |
| Smiles | NS(c(cc1)ccc1-c1ccc(/C=N\NC([C@H](C2)[C@@H]2c2ccccc2)=O)o1)(=O)=O |
| InChI | InChI=1S/C21H19N3O4S/c22-29(26,27)17-9-6-15(7-10-17)20-11-8-16(28-20)13-23-24-21(25)19-12-18(19)14-4-2-1-3-5-14/h1-11,13,18-19H,12H2,(H,24,25)(H2,22,26,27)/t18-,19-/m1/s1 |
| InChIK | DTDWWQMSWSVREA-RTBURBONSA-N |
| TotalMolweight | 409.465 |
| Molweight | 409.465 |
| MonoisotopicMass | 409.109627 |
| CLogP | 3.5232 |
| CLogS | -5.659 |
| H Acceptors | 7 |
| H Donors | 2 |
| TotalSurfaceArea | 298.8 |
| Relative PSA | 0.31449 |
| PolarSurfaceArea | 123.14 |
| Druglikeness | 9.8204 |
| Mutagenic | high |
| Tumorigenic | high |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.65517 |
| Fragments | 1 |
| Non HAtoms | 29 |
| NonCHAtoms | 8 |
| Electronegative Atoms | 8 |
| StereoCenters | 2 |
| Rotatable Bond | 6 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 17 |
| Sp3Atoms | 4 |
| Symmetricatoms | 5 |
| Amides | 1 |
| StereoCon | this enantiomer |
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1 - (1R,2R)-2-phenyl-N-[(Z)-[5-(4-sulfamoylphenyl)furan-2-yl]methylideneamino]cyclopropane-1-carboxamide | 2 - (1R,2R)-2-phenyl-N-[(Z)-[5-(4-sulfamoylphenyl)furan-2-yl]methylideneamino]cyclopropane-1-carboxamide
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