(NZ)-N-[(4Z)-8-[(4,5-diphenyl-1,3-oxazol-2-yl)sulfanyl]cyclooct-4-en-1-ylidene]hydroxylamine
Formula:C23H22N2O2S
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(NZ)-N-[(4Z)-8-[(4,5-diphenyl-1,3-oxazol-2-yl)sulfanyl]cyclooct-4-en-1-ylidene]hydroxylamine is not a drug-like molecule.
| MolName | (NZ)-N-[(4Z)-8-[(4,5-diphenyl-1,3-oxazol-2-yl)sulfanyl]cyclooct-4-en-1-ylidene]hydroxylamine |
| MolecularFormula | C23H22N2O2S |
| Smiles | O/N=C(/CC/C=C\CC1)\C1Sc1nc(-c2ccccc2)c(-c2ccccc2)o1 |
| InChI | InChI=1S/C23H22N2O2S/c26-25-19-15-9-1-2-10-16-20(19)28-23-24-21(17-11-5-3-6-12-17)22(27-23)18-13-7-4-8-14-18/h1-8,11-14,20,26H,9-10,15-16H2/b2-1?,25-19-/t20-/m0/s1 |
| InChIK | QOBHJLJXLNHTCW-JNSYTVTDSA-N |
| TotalMolweight | 390.506 |
| Molweight | 390.506 |
| MonoisotopicMass | 390.140198 |
| CLogP | 6.8749 |
| CLogS | -6.901 |
| H Acceptors | 4 |
| H Donors | 1 |
| TotalSurfaceArea | 308.58 |
| Relative PSA | 0.21771 |
| PolarSurfaceArea | 83.92 |
| Druglikeness | -2.6208 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.46429 |
| Fragments | 1 |
| Non HAtoms | 28 |
| NonCHAtoms | 5 |
| Electronegative Atoms | 5 |
| StereoCenters | 1 |
| Rotatable Bond | 4 |
| Rings Closures | 4 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 17 |
| Sp3Atoms | 7 |
| Symmetricatoms | 4 |
| Aromatic Nitrogens | 1 |
| StereoCon | racemate |
Click to Load Molecule:
1 - (NZ)-N-[(4Z)-8-[(4,5-diphenyl-1,3-oxazol-2-yl)sulfanyl]cyclooct-4-en-1-ylidene]hydroxylamine | 2 - (NZ)-N-[(4Z)-8-[(4,5-diphenyl-1,3-oxazol-2-yl)sulfanyl]cyclooct-4-en-1-ylidene]hydroxylamine
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