3-[[(Z)-(4-bromophenyl)methylideneamino]-(1,1-dioxo-1,2-benzothiazol-3-yl)amino]-N-cyclohexylpropanamide
Formula:C23H25N4O3BrS
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
3-[[(Z)-(4-bromophenyl)methylideneamino]-(1,1-dioxo-1,2-benzothiazol-3-yl)amino]-N-cyclohexylpropanamide is not a drug-like molecule.
| MolName | 3-[[(Z)-(4-bromophenyl)methylideneamino]-(1,1-dioxo-1,2-benzothiazol-3-yl)amino]-N-cyclohexylpropanamide |
| MolecularFormula | C23H25N4O3BrS |
| Smiles | O=C(CCN(C(c1c2cccc1)=NS2(=O)=O)/N=C\c(cc1)ccc1Br)NC1CCCCC1 |
| InChI | InChI=1S/C23H25BrN4O3S/c24-18-12-10-17(11-13-18)16-25-28(15-14-22(29)26-19-6-2-1-3-7-19)23-20-8-4-5-9-21(20)32(30,31)27-23/h4-5,8-13,16,19H,1-3,6-7,14-15H2,(H,26,29) |
| InChIK | OSUJAQUHBZZVDO-UHFFFAOYSA-N |
| TotalMolweight | 517.447 |
| Molweight | 517.447 |
| MonoisotopicMass | 516.083072 |
| CLogP | 4.6955 |
| CLogS | -5.667 |
| H Acceptors | 7 |
| H Donors | 1 |
| TotalSurfaceArea | 349.29 |
| Relative PSA | 0.22803 |
| PolarSurfaceArea | 99.58 |
| Druglikeness | -0.4255 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | imine/hydrazone of aldehyde |
| Shape Index | 0.5 |
| Fragments | 1 |
| Non HAtoms | 32 |
| NonCHAtoms | 9 |
| Electronegative Atoms | 9 |
| Rotatable Bond | 6 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 9 |
| Symmetricatoms | 5 |
| Amides | 1 |
| BasicNitrogens | 1 |
| StereoCon |
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1 - 3-[[(Z)-(4-bromophenyl)methylideneamino]-(1,1-dioxo-1,2-benzothiazol-3-yl)amino]-N-cyclohexylpropanamide | 2 - 3-[[(Z)-(4-bromophenyl)methylideneamino]-(1,1-dioxo-1,2-benzothiazol-3-yl)amino]-N-cyclohexylpropanamide
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