N-cyclohexyl-3-[[(Z)-(2,4-dichlorophenyl)methylideneamino]-(1,1-dioxo-1,2-benzothiazol-3-yl)amino]propanamide
Formula:C23H24N4O3Cl2S
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N-cyclohexyl-3-[[(Z)-(2,4-dichlorophenyl)methylideneamino]-(1,1-dioxo-1,2-benzothiazol-3-yl)amino]propanamide is not a drug-like molecule.
| MolName | N-cyclohexyl-3-[[(Z)-(2,4-dichlorophenyl)methylideneamino]-(1,1-dioxo-1,2-benzothiazol-3-yl)amino]propanamide |
| MolecularFormula | C23H24N4O3Cl2S |
| Smiles | O=C(CCN(C(c1c2cccc1)=NS2(=O)=O)/N=C\c(ccc(Cl)c1)c1Cl)NC1CCCCC1 |
| InChI | InChI=1S/C23H24Cl2N4O3S/c24-17-11-10-16(20(25)14-17)15-26-29(13-12-22(30)27-18-6-2-1-3-7-18)23-19-8-4-5-9-21(19)33(31,32)28-23/h4-5,8-11,14-15,18H,1-3,6-7,12-13H2,(H,27,30) |
| InChIK | JBOWCQYKXNSLHR-UHFFFAOYSA-N |
| TotalMolweight | 507.441 |
| Molweight | 507.441 |
| MonoisotopicMass | 506.094615 |
| CLogP | 5.1823 |
| CLogS | -6.305 |
| H Acceptors | 7 |
| H Donors | 1 |
| TotalSurfaceArea | 361.5 |
| Relative PSA | 0.22033 |
| PolarSurfaceArea | 99.58 |
| Druglikeness | 2.3007 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | imine/hydrazone of aldehyde |
| Shape Index | 0.48485 |
| Fragments | 1 |
| Non HAtoms | 33 |
| NonCHAtoms | 10 |
| Electronegative Atoms | 10 |
| Rotatable Bond | 6 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 9 |
| Symmetricatoms | 3 |
| Amides | 1 |
| BasicNitrogens | 1 |
| StereoCon |
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1 - N-cyclohexyl-3-[[(Z)-(2,4-dichlorophenyl)methylideneamino]-(1,1-dioxo-1,2-benzothiazol-3-yl)amino]propanamide | 2 - N-cyclohexyl-3-[[(Z)-(2,4-dichlorophenyl)methylideneamino]-(1,1-dioxo-1,2-benzothiazol-3-yl)amino]propanamide
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