1-[(Z)-(2-cyclohexylcyclohexylidene)amino]-3-(4-morpholin-4-ylsulfonylphenyl)thiourea
Formula:C23H34N4O3S2
Mutagenic:high
Tumorigenic:none
Reproductive Effective:high
1-[(Z)-(2-cyclohexylcyclohexylidene)amino]-3-(4-morpholin-4-ylsulfonylphenyl)thiourea is a drug-like molecule.
| MolName | 1-[(Z)-(2-cyclohexylcyclohexylidene)amino]-3-(4-morpholin-4-ylsulfonylphenyl)thiourea |
| MolecularFormula | C23H34N4O3S2 |
| Smiles | O=S(c(cc1)ccc1NC(N/N=C(/CCCC1)\C1C1CCCCC1)=S)(N1CCOCC1)=O |
| InChI | InChI=1S/C23H34N4O3S2/c28-32(29,27-14-16-30-17-15-27)20-12-10-19(11-13-20)24-23(31)26-25-22-9-5-4-8-21(22)18-6-2-1-3-7-18/h10-13,18,21H,1-9,14-17H2,(H2,24,26,31)/t21-/m0/s1 |
| InChIK | WMZCUBQCKDIXAV-NRFANRHFSA-N |
| TotalMolweight | 478.68 |
| Molweight | 478.68 |
| MonoisotopicMass | 478.207231 |
| CLogP | 3.9991 |
| CLogS | -4.875 |
| H Acceptors | 7 |
| H Donors | 2 |
| TotalSurfaceArea | 364.12 |
| Relative PSA | 0.28716 |
| PolarSurfaceArea | 123.5 |
| Druglikeness | -0.58163 |
| Mutagenic | high |
| Tumorigenic | none |
| Reproductive Effective | high |
| Irritant | none |
| Nasty Functions | thio-amide/urea |
| Shape Index | 0.59375 |
| Fragments | 1 |
| Non HAtoms | 32 |
| NonCHAtoms | 9 |
| Electronegative Atoms | 9 |
| StereoCenters | 1 |
| Rotatable Bond | 4 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 1 |
| Aromatic Atoms | 6 |
| Sp3Atoms | 18 |
| Symmetricatoms | 7 |
| Amides | 1 |
| StereoCon | racemate |
Click to Load Molecule:
1 - 1-[(Z)-(2-cyclohexylcyclohexylidene)amino]-3-(4-morpholin-4-ylsulfonylphenyl)thiourea | 2 - 1-[(Z)-(2-cyclohexylcyclohexylidene)amino]-3-(4-morpholin-4-ylsulfonylphenyl)thiourea
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