N-(1,3-benzothiazol-2-yl)-N'-[(Z)-2,3-dihydroinden-1-ylideneamino]oxamide
Formula:C18H14N4O2S
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N-(1,3-benzothiazol-2-yl)-N'-[(Z)-2,3-dihydroinden-1-ylideneamino]oxamide is a drug-like molecule.
| MolName | N-(1,3-benzothiazol-2-yl)-N'-[(Z)-2,3-dihydroinden-1-ylideneamino]oxamide |
| MolecularFormula | C18H14N4O2S |
| Smiles | O=C(C(N/N=C(/CC1)\c2c1cccc2)=O)Nc1nc(cccc2)c2s1 |
| InChI | InChI=1S/C18H14N4O2S/c23-16(20-18-19-14-7-3-4-8-15(14)25-18)17(24)22-21-13-10-9-11-5-1-2-6-12(11)13/h1-8H,9-10H2,(H,22,24)(H,19,20,23) |
| InChIK | YHUNXYQOFIWUJX-UHFFFAOYSA-N |
| TotalMolweight | 350.401 |
| Molweight | 350.401 |
| MonoisotopicMass | 350.083746 |
| CLogP | 3.277 |
| CLogS | -5.171 |
| H Acceptors | 6 |
| H Donors | 2 |
| TotalSurfaceArea | 257.73 |
| Relative PSA | 0.35634 |
| PolarSurfaceArea | 111.69 |
| Druglikeness | 2.0986 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; limit! oxal-diamide |
| Shape Index | 0.6 |
| Fragments | 1 |
| Non HAtoms | 25 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| Rotatable Bond | 3 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 15 |
| Sp3Atoms | 2 |
| Amides | 1 |
| Aromatic Nitrogens | 1 |
| StereoCon |
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1 - N-(1,3-benzothiazol-2-yl)-N'-[(Z)-2,3-dihydroinden-1-ylideneamino]oxamide | 2 - N-(1,3-benzothiazol-2-yl)-N'-[(Z)-2,3-dihydroinden-1-ylideneamino]oxamide
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