N-[(Z)-1,3-benzodioxol-5-ylmethylideneamino]-3-pyrrolidin-1-ylsulfonylbenzamide
Formula:C19H19N3O5S
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N-[(Z)-1,3-benzodioxol-5-ylmethylideneamino]-3-pyrrolidin-1-ylsulfonylbenzamide is a drug-like molecule.
| MolName | N-[(Z)-1,3-benzodioxol-5-ylmethylideneamino]-3-pyrrolidin-1-ylsulfonylbenzamide |
| MolecularFormula | C19H19N3O5S |
| Smiles | O=C(c1cccc(S(N2CCCC2)(=O)=O)c1)N/N=C\c(cc1)cc2c1OCO2 |
| InChI | InChI=1S/C19H19N3O5S/c23-19(21-20-12-14-6-7-17-18(10-14)27-13-26-17)15-4-3-5-16(11-15)28(24,25)22-8-1-2-9-22/h3-7,10-12H,1-2,8-9,13H2,(H,21,23) |
| InChIK | BHKIWSBWYOIRDG-UHFFFAOYSA-N |
| TotalMolweight | 401.442 |
| Molweight | 401.442 |
| MonoisotopicMass | 401.104542 |
| CLogP | 3.1778 |
| CLogS | -4.257 |
| H Acceptors | 8 |
| H Donors | 1 |
| TotalSurfaceArea | 287.67 |
| Relative PSA | 0.30639 |
| PolarSurfaceArea | 105.68 |
| Druglikeness | 0.77442 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.57143 |
| Fragments | 1 |
| Non HAtoms | 28 |
| NonCHAtoms | 9 |
| Electronegative Atoms | 9 |
| Rotatable Bond | 4 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 8 |
| Symmetricatoms | 3 |
| Amides | 1 |
| StereoCon |
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