N-(3-cyclohexylsulfanylpropyl)-2-[(2Z)-3-oxo-2-[[4-(trifluoromethyl)phenyl]methylidene]-1,4-benzothiazin-4-yl]acetamide
Formula:C27H29N2O2F3S2
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N-(3-cyclohexylsulfanylpropyl)-2-[(2Z)-3-oxo-2-[[4-(trifluoromethyl)phenyl]methylidene]-1,4-benzothiazin-4-yl]acetamide is not a drug-like molecule.
| MolName | N-(3-cyclohexylsulfanylpropyl)-2-[(2Z)-3-oxo-2-[[4-(trifluoromethyl)phenyl]methylidene]-1,4-benzothiazin-4-yl]acetamide |
| MolecularFormula | C27H29N2O2F3S2 |
| Smiles | O=C(CN(c(cccc1)c1S/C1=C\c2ccc(C(F)(F)F)cc2)C1=O)NCCCSC1CCCCC1 |
| InChI | InChI=1S/C27H29F3N2O2S2/c28-27(29,30)20-13-11-19(12-14-20)17-24-26(34)32(22-9-4-5-10-23(22)36-24)18-25(33)31-15-6-16-35-21-7-2-1-3-8-21/h4-5,9-14,17,21H,1-3,6-8,15-16,18H2,(H,31,33) |
| InChIK | GSSGNMACQUBRJW-UHFFFAOYSA-N |
| TotalMolweight | 534.665 |
| Molweight | 534.665 |
| MonoisotopicMass | 534.162252 |
| CLogP | 5.1847 |
| CLogS | -7.204 |
| H Acceptors | 4 |
| H Donors | 1 |
| TotalSurfaceArea | 388.77 |
| Relative PSA | 0.19567 |
| PolarSurfaceArea | 100.01 |
| Druglikeness | -6.2891 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.58333 |
| Fragments | 1 |
| Non HAtoms | 36 |
| NonCHAtoms | 9 |
| Electronegative Atoms | 9 |
| Rotatable Bond | 9 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 13 |
| Symmetricatoms | 6 |
| Amides | 2 |
| StereoCon |
Click to Load Molecule:
1 - N-(3-cyclohexylsulfanylpropyl)-2-[(2Z)-3-oxo-2-[[4-(trifluoromethyl)phenyl]methylidene]-1,4-benzothiazin-4-yl]acetamide | 2 - N-(3-cyclohexylsulfanylpropyl)-2-[(2Z)-3-oxo-2-[[4-(trifluoromethyl)phenyl]methylidene]-1,4-benzothiazin-4-yl]acetamide
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