N-[(Z)-[(E)-3-phenylprop-2-enylidene]amino]-3-pyrrolidin-1-ylsulfonylbenzamide
Formula:C20H21N3O3S
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N-[(Z)-[(E)-3-phenylprop-2-enylidene]amino]-3-pyrrolidin-1-ylsulfonylbenzamide is a drug-like molecule.
| MolName | N-[(Z)-[(E)-3-phenylprop-2-enylidene]amino]-3-pyrrolidin-1-ylsulfonylbenzamide |
| MolecularFormula | C20H21N3O3S |
| Smiles | O=C(c1cccc(S(N2CCCC2)(=O)=O)c1)N/N=C\C=C\c1ccccc1 |
| InChI | InChI=1S/C20H21N3O3S/c24-20(22-21-13-7-10-17-8-2-1-3-9-17)18-11-6-12-19(16-18)27(25,26)23-14-4-5-15-23/h1-3,6-13,16H,4-5,14-15H2,(H,22,24) |
| InChIK | RKSYHRGTVCTJLN-UHFFFAOYSA-N |
| TotalMolweight | 383.471 |
| Molweight | 383.471 |
| MonoisotopicMass | 383.130362 |
| CLogP | 3.0847 |
| CLogS | -3.838 |
| H Acceptors | 6 |
| H Donors | 1 |
| TotalSurfaceArea | 293.91 |
| Relative PSA | 0.23184 |
| PolarSurfaceArea | 87.22 |
| Druglikeness | -0.26892 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.62963 |
| Fragments | 1 |
| Non HAtoms | 27 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| Rotatable Bond | 5 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 5 |
| Symmetricatoms | 5 |
| Amides | 1 |
| StereoCon |
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