O-cyclohexyl N-[(E)-N-(4-chlorophenyl)sulfonyl-C-phenylcarbonimidoyl]carbamothioate
Formula:C20H21N2O3ClS2
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
O-cyclohexyl N-[(E)-N-(4-chlorophenyl)sulfonyl-C-phenylcarbonimidoyl]carbamothioate is not a drug-like molecule.
| MolName | O-cyclohexyl N-[(E)-N-(4-chlorophenyl)sulfonyl-C-phenylcarbonimidoyl]carbamothioate |
| MolecularFormula | C20H21N2O3ClS2 |
| Smiles | O=S(c(cc1)ccc1Cl)(/N=C(\c1ccccc1)/NC(OC1CCCCC1)=S)=O |
| InChI | InChI=1S/C20H21ClN2O3S2/c21-16-11-13-18(14-12-16)28(24,25)23-19(15-7-3-1-4-8-15)22-20(27)26-17-9-5-2-6-10-17/h1,3-4,7-8,11-14,17H,2,5-6,9-10H2,(H,22,23,27) |
| InChIK | HFMGJNPTSKKYAX-UHFFFAOYSA-N |
| TotalMolweight | 436.983 |
| Molweight | 436.983 |
| MonoisotopicMass | 436.06821 |
| CLogP | 5.1193 |
| CLogS | -5.704 |
| H Acceptors | 5 |
| H Donors | 1 |
| TotalSurfaceArea | 321.96 |
| Relative PSA | 0.27814 |
| PolarSurfaceArea | 108.23 |
| Druglikeness | -1.9255 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.53571 |
| Fragments | 1 |
| Non HAtoms | 28 |
| NonCHAtoms | 8 |
| Electronegative Atoms | 8 |
| Rotatable Bond | 4 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 9 |
| Symmetricatoms | 7 |
| BasicNitrogens | 1 |
| StereoCon |
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