N-[(Z)-1,3-benzodioxol-5-ylmethylideneamino]-2-(1,3-benzothiazol-2-ylsulfanyl)acetamide
Formula:C17H13N3O3S2
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N-[(Z)-1,3-benzodioxol-5-ylmethylideneamino]-2-(1,3-benzothiazol-2-ylsulfanyl)acetamide is a drug-like molecule.
| MolName | N-[(Z)-1,3-benzodioxol-5-ylmethylideneamino]-2-(1,3-benzothiazol-2-ylsulfanyl)acetamide |
| MolecularFormula | C17H13N3O3S2 |
| Smiles | O=C(CSc1nc(cccc2)c2s1)N/N=C\c(cc1)cc2c1OCO2 |
| InChI | InChI=1S/C17H13N3O3S2/c21-16(9-24-17-19-12-3-1-2-4-15(12)25-17)20-18-8-11-5-6-13-14(7-11)23-10-22-13/h1-8H,9-10H2,(H,20,21) |
| InChIK | VSEPJTKGNSNXCT-UHFFFAOYSA-N |
| TotalMolweight | 371.44 |
| Molweight | 371.44 |
| MonoisotopicMass | 371.039832 |
| CLogP | 4.0277 |
| CLogS | -5.81 |
| H Acceptors | 6 |
| H Donors | 1 |
| TotalSurfaceArea | 267.8 |
| Relative PSA | 0.39145 |
| PolarSurfaceArea | 126.35 |
| Druglikeness | 4.6308 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.64 |
| Fragments | 1 |
| Non HAtoms | 25 |
| NonCHAtoms | 8 |
| Electronegative Atoms | 8 |
| Rotatable Bond | 5 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 15 |
| Sp3Atoms | 5 |
| Aromatic Nitrogens | 1 |
| StereoCon |
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1 - N-[(Z)-1,3-benzodioxol-5-ylmethylideneamino]-2-(1,3-benzothiazol-2-ylsulfanyl)acetamide | 2 - N-[(Z)-1,3-benzodioxol-5-ylmethylideneamino]-2-(1,3-benzothiazol-2-ylsulfanyl)acetamide
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