1-[2-[(2Z)-2-(4-chlorophenyl)-2-hydroxyiminoethyl]imino-4,5,6,7-tetrahydro-1,3-benzothiazol-3-yl]-2-phenylethanone
Formula:C23H22N3O2ClS
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
1-[2-[(2Z)-2-(4-chlorophenyl)-2-hydroxyiminoethyl]imino-4,5,6,7-tetrahydro-1,3-benzothiazol-3-yl]-2-phenylethanone is not a drug-like molecule.
| MolName | 1-[2-[(2Z)-2-(4-chlorophenyl)-2-hydroxyiminoethyl]imino-4,5,6,7-tetrahydro-1,3-benzothiazol-3-yl]-2-phenylethanone |
| MolecularFormula | C23H22N3O2ClS |
| Smiles | O/N=C(\C/N=C1\SC(CCCC2)=C2N1C(Cc1ccccc1)=O)/c(cc1)ccc1Cl |
| InChI | InChI=1S/C23H22ClN3O2S/c24-18-12-10-17(11-13-18)19(26-29)15-25-23-27(20-8-4-5-9-21(20)30-23)22(28)14-16-6-2-1-3-7-16/h1-3,6-7,10-13,29H,4-5,8-9,14-15H2 |
| InChIK | XGJOPBXCUXDWNQ-UHFFFAOYSA-N |
| TotalMolweight | 439.966 |
| Molweight | 439.966 |
| MonoisotopicMass | 439.112124 |
| CLogP | 5.6062 |
| CLogS | -6.841 |
| H Acceptors | 5 |
| H Donors | 1 |
| TotalSurfaceArea | 324.75 |
| Relative PSA | 0.21617 |
| PolarSurfaceArea | 90.56 |
| Druglikeness | -0.84 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.53333 |
| Fragments | 1 |
| Non HAtoms | 30 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| Rotatable Bond | 5 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 8 |
| Symmetricatoms | 4 |
| Amides | 1 |
| StereoCon |
Click to Load Molecule:
1 - 1-[2-[(2Z)-2-(4-chlorophenyl)-2-hydroxyiminoethyl]imino-4,5,6,7-tetrahydro-1,3-benzothiazol-3-yl]-2-phenylethanone | 2 - 1-[2-[(2Z)-2-(4-chlorophenyl)-2-hydroxyiminoethyl]imino-4,5,6,7-tetrahydro-1,3-benzothiazol-3-yl]-2-phenylethanone
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