3-[[(Z)-1,3-benzodioxol-5-ylmethylideneamino]-(1,1-dioxo-1,2-benzothiazol-3-yl)amino]-N-cyclohexylpropanamide
Formula:C24H26N4O5S
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
3-[[(Z)-1,3-benzodioxol-5-ylmethylideneamino]-(1,1-dioxo-1,2-benzothiazol-3-yl)amino]-N-cyclohexylpropanamide is a drug-like molecule.
| MolName | 3-[[(Z)-1,3-benzodioxol-5-ylmethylideneamino]-(1,1-dioxo-1,2-benzothiazol-3-yl)amino]-N-cyclohexylpropanamide |
| MolecularFormula | C24H26N4O5S |
| Smiles | O=C(CCN(C(c1c2cccc1)=NS2(=O)=O)/N=C\c(cc1)cc2c1OCO2)NC1CCCCC1 |
| InChI | InChI=1S/C24H26N4O5S/c29-23(26-18-6-2-1-3-7-18)12-13-28(24-19-8-4-5-9-22(19)34(30,31)27-24)25-15-17-10-11-20-21(14-17)33-16-32-20/h4-5,8-11,14-15,18H,1-3,6-7,12-13,16H2,(H,26,29) |
| InChIK | IDQKDDTWRKCTCM-UHFFFAOYSA-N |
| TotalMolweight | 482.559 |
| Molweight | 482.559 |
| MonoisotopicMass | 482.162391 |
| CLogP | 4.0817 |
| CLogS | -5.544 |
| H Acceptors | 9 |
| H Donors | 1 |
| TotalSurfaceArea | 350.92 |
| Relative PSA | 0.28397 |
| PolarSurfaceArea | 118.04 |
| Druglikeness | 1.445 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | imine/hydrazone of aldehyde |
| Shape Index | 0.47059 |
| Fragments | 1 |
| Non HAtoms | 34 |
| NonCHAtoms | 10 |
| Electronegative Atoms | 10 |
| Rotatable Bond | 6 |
| Rings Closures | 5 |
| Small Rings | 5 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 12 |
| Symmetricatoms | 3 |
| Amides | 1 |
| BasicNitrogens | 1 |
| StereoCon |
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1 - 3-[[(Z)-1,3-benzodioxol-5-ylmethylideneamino]-(1,1-dioxo-1,2-benzothiazol-3-yl)amino]-N-cyclohexylpropanamide | 2 - 3-[[(Z)-1,3-benzodioxol-5-ylmethylideneamino]-(1,1-dioxo-1,2-benzothiazol-3-yl)amino]-N-cyclohexylpropanamide
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