benzyl N-phenyl-N'-(phenylcarbamothioyl)carbamimidothioate
Formula:C21H19N3S2
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
benzyl N-phenyl-N'-(phenylcarbamothioyl)carbamimidothioate is not a drug-like molecule.
| MolName | benzyl N-phenyl-N'-(phenylcarbamothioyl)carbamimidothioate |
| MolecularFormula | C21H19N3S2 |
| Smiles | S=C(Nc1ccccc1)/N=C(\Nc1ccccc1)/SCc1ccccc1 |
| InChI | InChI=1S/C21H19N3S2/c25-20(22-18-12-6-2-7-13-18)24-21(23-19-14-8-3-9-15-19)26-16-17-10-4-1-5-11-17/h1-15H,16H2,(H2,22,23,24,25) |
| InChIK | SAWCDQJOCBWGGR-UHFFFAOYSA-N |
| TotalMolweight | 377.535 |
| Molweight | 377.535 |
| MonoisotopicMass | 377.102037 |
| CLogP | 5.4757 |
| CLogS | -6.455 |
| H Acceptors | 3 |
| H Donors | 2 |
| TotalSurfaceArea | 302.63 |
| Relative PSA | 0.26408 |
| PolarSurfaceArea | 93.81 |
| Druglikeness | -0.17377 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | thio-amide/urea |
| Shape Index | 0.53846 |
| Fragments | 1 |
| Non HAtoms | 26 |
| NonCHAtoms | 5 |
| Electronegative Atoms | 5 |
| Rotatable Bond | 5 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 18 |
| Sp3Atoms | 3 |
| Symmetricatoms | 6 |
| BasicNitrogens | 1 |
| StereoCon |
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