3-[[(Z)-(6-chloro-1,3-benzodioxol-5-yl)methylideneamino]-(1,1-dioxo-1,2-benzothiazol-3-yl)amino]-N-cyclohexylpropanamide
Formula:C24H25N4O5ClS
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
3-[[(Z)-(6-chloro-1,3-benzodioxol-5-yl)methylideneamino]-(1,1-dioxo-1,2-benzothiazol-3-yl)amino]-N-cyclohexylpropanamide is not a drug-like molecule.
| MolName | 3-[[(Z)-(6-chloro-1,3-benzodioxol-5-yl)methylideneamino]-(1,1-dioxo-1,2-benzothiazol-3-yl)amino]-N-cyclohexylpropanamide |
| MolecularFormula | C24H25N4O5ClS |
| Smiles | O=C(CCN(C(c1c2cccc1)=NS2(=O)=O)/N=C\c(cc1OCOc1c1)c1Cl)NC1CCCCC1 |
| InChI | InChI=1S/C24H25ClN4O5S/c25-19-13-21-20(33-15-34-21)12-16(19)14-26-29(11-10-23(30)27-17-6-2-1-3-7-17)24-18-8-4-5-9-22(18)35(31,32)28-24/h4-5,8-9,12-14,17H,1-3,6-7,10-11,15H2,(H,27,30) |
| InChIK | XMYQIRLQMAGYAY-UHFFFAOYSA-N |
| TotalMolweight | 517.005 |
| Molweight | 517.005 |
| MonoisotopicMass | 516.123418 |
| CLogP | 4.6877 |
| CLogS | -6.28 |
| H Acceptors | 9 |
| H Donors | 1 |
| TotalSurfaceArea | 366.34 |
| Relative PSA | 0.27202 |
| PolarSurfaceArea | 118.04 |
| Druglikeness | 1.7196 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | imine/hydrazone of aldehyde |
| Shape Index | 0.45714 |
| Fragments | 1 |
| Non HAtoms | 35 |
| NonCHAtoms | 11 |
| Electronegative Atoms | 11 |
| Rotatable Bond | 6 |
| Rings Closures | 5 |
| Small Rings | 5 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 12 |
| Symmetricatoms | 3 |
| Amides | 1 |
| BasicNitrogens | 1 |
| StereoCon |
Click to Load Molecule:
1 - 3-[[(Z)-(6-chloro-1,3-benzodioxol-5-yl)methylideneamino]-(1,1-dioxo-1,2-benzothiazol-3-yl)amino]-N-cyclohexylpropanamide | 2 - 3-[[(Z)-(6-chloro-1,3-benzodioxol-5-yl)methylideneamino]-(1,1-dioxo-1,2-benzothiazol-3-yl)amino]-N-cyclohexylpropanamide
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