N-[(Z)-2,3-dihydro-1,4-benzodioxin-6-ylmethylideneamino]-3-pyrrolidin-1-ylsulfonylbenzamide
Formula:C20H21N3O5S
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N-[(Z)-2,3-dihydro-1,4-benzodioxin-6-ylmethylideneamino]-3-pyrrolidin-1-ylsulfonylbenzamide is a drug-like molecule.
| MolName | N-[(Z)-2,3-dihydro-1,4-benzodioxin-6-ylmethylideneamino]-3-pyrrolidin-1-ylsulfonylbenzamide |
| MolecularFormula | C20H21N3O5S |
| Smiles | O=C(c1cccc(S(N2CCCC2)(=O)=O)c1)N/N=C\c(cc1)cc2c1OCCO2 |
| InChI | InChI=1S/C20H21N3O5S/c24-20(22-21-14-15-6-7-18-19(12-15)28-11-10-27-18)16-4-3-5-17(13-16)29(25,26)23-8-1-2-9-23/h3-7,12-14H,1-2,8-11H2,(H,22,24) |
| InChIK | GCZNBVZOAQEPSQ-UHFFFAOYSA-N |
| TotalMolweight | 415.469 |
| Molweight | 415.469 |
| MonoisotopicMass | 415.120192 |
| CLogP | 3.0452 |
| CLogS | -3.728 |
| H Acceptors | 8 |
| H Donors | 1 |
| TotalSurfaceArea | 301.43 |
| Relative PSA | 0.29241 |
| PolarSurfaceArea | 105.68 |
| Druglikeness | -6.2213 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.58621 |
| Fragments | 1 |
| Non HAtoms | 29 |
| NonCHAtoms | 9 |
| Electronegative Atoms | 9 |
| Rotatable Bond | 4 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 9 |
| Symmetricatoms | 3 |
| Amides | 1 |
| StereoCon |
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1 - N-[(Z)-2,3-dihydro-1,4-benzodioxin-6-ylmethylideneamino]-3-pyrrolidin-1-ylsulfonylbenzamide | 2 - N-[(Z)-2,3-dihydro-1,4-benzodioxin-6-ylmethylideneamino]-3-pyrrolidin-1-ylsulfonylbenzamide
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