N-[(Z)-(2-bromophenyl)methylideneamino]-3-pyrrolidin-1-ylsulfonylbenzamide
Formula:C18H18N3O3BrS
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N-[(Z)-(2-bromophenyl)methylideneamino]-3-pyrrolidin-1-ylsulfonylbenzamide is a drug-like molecule.
| MolName | N-[(Z)-(2-bromophenyl)methylideneamino]-3-pyrrolidin-1-ylsulfonylbenzamide |
| MolecularFormula | C18H18N3O3BrS |
| Smiles | O=C(c1cc(S(N2CCCC2)(=O)=O)ccc1)N/N=C\c(cccc1)c1Br |
| InChI | InChI=1S/C18H18BrN3O3S/c19-17-9-2-1-6-15(17)13-20-21-18(23)14-7-5-8-16(12-14)26(24,25)22-10-3-4-11-22/h1-2,5-9,12-13H,3-4,10-11H2,(H,21,23) |
| InChIK | XSDNTVQEVRPXFS-UHFFFAOYSA-N |
| TotalMolweight | 436.329 |
| Molweight | 436.329 |
| MonoisotopicMass | 435.025223 |
| CLogP | 3.7916 |
| CLogS | -4.38 |
| H Acceptors | 6 |
| H Donors | 1 |
| TotalSurfaceArea | 286.04 |
| Relative PSA | 0.23822 |
| PolarSurfaceArea | 87.22 |
| Druglikeness | -2.7897 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.57692 |
| Fragments | 1 |
| Non HAtoms | 26 |
| NonCHAtoms | 8 |
| Electronegative Atoms | 8 |
| Rotatable Bond | 4 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 5 |
| Symmetricatoms | 3 |
| Amides | 1 |
| StereoCon |
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