(E)-N-[[(4-phenylbenzoyl)amino]carbamothioyl]-3-thiophen-2-ylprop-2-enamide
Formula:C21H17N3O2S2
Mutagenic:high
Tumorigenic:none
Reproductive Effective:high
(E)-N-[[(4-phenylbenzoyl)amino]carbamothioyl]-3-thiophen-2-ylprop-2-enamide is a drug-like molecule.
| MolName | (E)-N-[[(4-phenylbenzoyl)amino]carbamothioyl]-3-thiophen-2-ylprop-2-enamide |
| MolecularFormula | C21H17N3O2S2 |
| Smiles | O=C(/C=C/c1cccs1)NC(NNC(c(cc1)ccc1-c1ccccc1)=O)=S |
| InChI | InChI=1S/C21H17N3O2S2/c25-19(13-12-18-7-4-14-28-18)22-21(27)24-23-20(26)17-10-8-16(9-11-17)15-5-2-1-3-6-15/h1-14H,(H,23,26)(H2,22,24,25,27) |
| InChIK | LHDVWBROGCZRHV-UHFFFAOYSA-N |
| TotalMolweight | 407.517 |
| Molweight | 407.517 |
| MonoisotopicMass | 407.076217 |
| CLogP | 3.655 |
| CLogS | -6.321 |
| H Acceptors | 5 |
| H Donors | 3 |
| TotalSurfaceArea | 317.81 |
| Relative PSA | 0.34241 |
| PolarSurfaceArea | 130.56 |
| Druglikeness | 2.9024 |
| Mutagenic | high |
| Tumorigenic | none |
| Reproductive Effective | high |
| Irritant | none |
| Nasty Functions | thio-amide/urea |
| Shape Index | 0.67857 |
| Fragments | 1 |
| Non HAtoms | 28 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| Rotatable Bond | 5 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 17 |
| Sp3Atoms | 1 |
| Symmetricatoms | 4 |
| Amides | 1 |
| StereoCon |
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1 - (E)-N-[[(4-phenylbenzoyl)amino]carbamothioyl]-3-thiophen-2-ylprop-2-enamide | 2 - (E)-N-[[(4-phenylbenzoyl)amino]carbamothioyl]-3-thiophen-2-ylprop-2-enamide
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