N-[(Z)-(4-cyanophenyl)methylideneamino]-3-pyrrolidin-1-ylsulfonylbenzamide
Formula:C19H18N4O3S
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N-[(Z)-(4-cyanophenyl)methylideneamino]-3-pyrrolidin-1-ylsulfonylbenzamide is a drug-like molecule.
| MolName | N-[(Z)-(4-cyanophenyl)methylideneamino]-3-pyrrolidin-1-ylsulfonylbenzamide |
| MolecularFormula | C19H18N4O3S |
| Smiles | N#Cc1ccc(/C=N\NC(c2cccc(S(N3CCCC3)(=O)=O)c2)=O)cc1 |
| InChI | InChI=1S/C19H18N4O3S/c20-13-15-6-8-16(9-7-15)14-21-22-19(24)17-4-3-5-18(12-17)27(25,26)23-10-1-2-11-23/h3-9,12,14H,1-2,10-11H2,(H,22,24) |
| InChIK | MOFKIIOGXFCAJM-UHFFFAOYSA-N |
| TotalMolweight | 382.443 |
| Molweight | 382.443 |
| MonoisotopicMass | 382.109961 |
| CLogP | 2.902 |
| CLogS | -4.319 |
| H Acceptors | 7 |
| H Donors | 1 |
| TotalSurfaceArea | 289.12 |
| Relative PSA | 0.28258 |
| PolarSurfaceArea | 111.01 |
| Druglikeness | -7.6418 |
| 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 | 8 |
| Electronegative Atoms | 8 |
| Rotatable Bond | 4 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 5 |
| Symmetricatoms | 5 |
| Amides | 1 |
| StereoCon |
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