1-[(E)-N-(4-chlorophenyl)sulfonyl-C-phenylcarbonimidoyl]-3-phenylthiourea
Formula:C20H16N3O2ClS2
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
1-[(E)-N-(4-chlorophenyl)sulfonyl-C-phenylcarbonimidoyl]-3-phenylthiourea is a drug-like molecule.
| MolName | 1-[(E)-N-(4-chlorophenyl)sulfonyl-C-phenylcarbonimidoyl]-3-phenylthiourea |
| MolecularFormula | C20H16N3O2ClS2 |
| Smiles | O=S(c(cc1)ccc1Cl)(/N=C(\c1ccccc1)/NC(Nc1ccccc1)=S)=O |
| InChI | InChI=1S/C20H16ClN3O2S2/c21-16-11-13-18(14-12-16)28(25,26)24-19(15-7-3-1-4-8-15)23-20(27)22-17-9-5-2-6-10-17/h1-14H,(H2,22,23,24,27) |
| InChIK | AQJWZDRSGBPVNQ-UHFFFAOYSA-N |
| TotalMolweight | 429.951 |
| Molweight | 429.951 |
| MonoisotopicMass | 429.037244 |
| CLogP | 4.7981 |
| CLogS | -5.501 |
| H Acceptors | 5 |
| H Donors | 2 |
| TotalSurfaceArea | 315.38 |
| Relative PSA | 0.28857 |
| PolarSurfaceArea | 111.03 |
| Druglikeness | 1.4484 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | thio-amide/urea |
| Shape Index | 0.53571 |
| Fragments | 1 |
| Non HAtoms | 28 |
| NonCHAtoms | 8 |
| Electronegative Atoms | 8 |
| Rotatable Bond | 3 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 18 |
| Sp3Atoms | 2 |
| Symmetricatoms | 7 |
| BasicNitrogens | 1 |
| StereoCon |
Click to Load Molecule:
1 - 1-[(E)-N-(4-chlorophenyl)sulfonyl-C-phenylcarbonimidoyl]-3-phenylthiourea | 2 - 1-[(E)-N-(4-chlorophenyl)sulfonyl-C-phenylcarbonimidoyl]-3-phenylthiourea
Spacefill |
Wire |
Ball & Stick |
Iso-vdw |
Opaque |
Dot Surface |
Mep |
Translucent |
Spin |
Label On |
Off