N'-[(Z)-1,3-benzodioxol-5-ylmethylideneamino]-N-(1,3-benzothiazol-2-yl)oxamide
Formula:C17H12N4O4S
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N'-[(Z)-1,3-benzodioxol-5-ylmethylideneamino]-N-(1,3-benzothiazol-2-yl)oxamide is a drug-like molecule.
| MolName | N'-[(Z)-1,3-benzodioxol-5-ylmethylideneamino]-N-(1,3-benzothiazol-2-yl)oxamide |
| MolecularFormula | C17H12N4O4S |
| Smiles | O=C(C(N/N=C\c(cc1)cc2c1OCO2)=O)Nc1nc(cccc2)c2s1 |
| InChI | InChI=1S/C17H12N4O4S/c22-15(20-17-19-11-3-1-2-4-14(11)26-17)16(23)21-18-8-10-5-6-12-13(7-10)25-9-24-12/h1-8H,9H2,(H,21,23)(H,19,20,22) |
| InChIK | UXVYXOAJQHVTBV-UHFFFAOYSA-N |
| TotalMolweight | 368.372 |
| Molweight | 368.372 |
| MonoisotopicMass | 368.057926 |
| CLogP | 3.0577 |
| CLogS | -5.203 |
| H Acceptors | 8 |
| H Donors | 2 |
| TotalSurfaceArea | 265.76 |
| Relative PSA | 0.42083 |
| PolarSurfaceArea | 130.15 |
| Druglikeness | 3.8458 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde; limit! oxal-diamide |
| Shape Index | 0.61538 |
| Fragments | 1 |
| Non HAtoms | 26 |
| NonCHAtoms | 9 |
| Electronegative Atoms | 9 |
| Rotatable Bond | 4 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 15 |
| Sp3Atoms | 3 |
| Amides | 1 |
| Aromatic Nitrogens | 1 |
| StereoCon |
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1 - N'-[(Z)-1,3-benzodioxol-5-ylmethylideneamino]-N-(1,3-benzothiazol-2-yl)oxamide | 2 - N'-[(Z)-1,3-benzodioxol-5-ylmethylideneamino]-N-(1,3-benzothiazol-2-yl)oxamide
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