N-(3-cyclohexylsulfanylpropyl)-4-[(Z)-[4-[(2-fluorophenyl)methyl]-3-oxo-1,4-benzoxazin-2-ylidene]methyl]benzamide
Formula:C32H33N2O3FS
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N-(3-cyclohexylsulfanylpropyl)-4-[(Z)-[4-[(2-fluorophenyl)methyl]-3-oxo-1,4-benzoxazin-2-ylidene]methyl]benzamide is not a drug-like molecule.
| MolName | N-(3-cyclohexylsulfanylpropyl)-4-[(Z)-[4-[(2-fluorophenyl)methyl]-3-oxo-1,4-benzoxazin-2-ylidene]methyl]benzamide |
| MolecularFormula | C32H33N2O3FS |
| Smiles | O=C(c1ccc(/C=C2\Oc(cccc3)c3N(Cc(cccc3)c3F)C2=O)cc1)NCCCSC1CCCCC1 |
| InChI | InChI=1S/C32H33FN2O3S/c33-27-12-5-4-9-25(27)22-35-28-13-6-7-14-29(28)38-30(32(35)37)21-23-15-17-24(18-16-23)31(36)34-19-8-20-39-26-10-2-1-3-11-26/h4-7,9,12-18,21,26H,1-3,8,10-11,19-20,22H2,(H,34,36) |
| InChIK | MZDZYDCYVGLMDY-UHFFFAOYSA-N |
| TotalMolweight | 544.689 |
| Molweight | 544.689 |
| MonoisotopicMass | 544.219591 |
| CLogP | 6.4593 |
| CLogS | -7.687 |
| H Acceptors | 5 |
| H Donors | 1 |
| TotalSurfaceArea | 417.93 |
| Relative PSA | 0.16409 |
| PolarSurfaceArea | 83.94 |
| Druglikeness | -0.75655 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.58974 |
| Fragments | 1 |
| Non HAtoms | 39 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| Rotatable Bond | 9 |
| Rings Closures | 5 |
| Small Rings | 5 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 18 |
| Sp3Atoms | 12 |
| Symmetricatoms | 4 |
| Amides | 2 |
| StereoCon |
Click to Load Molecule:
1 - N-(3-cyclohexylsulfanylpropyl)-4-[(Z)-[4-[(2-fluorophenyl)methyl]-3-oxo-1,4-benzoxazin-2-ylidene]methyl]benzamide | 2 - N-(3-cyclohexylsulfanylpropyl)-4-[(Z)-[4-[(2-fluorophenyl)methyl]-3-oxo-1,4-benzoxazin-2-ylidene]methyl]benzamide
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