N-[[3-(5,7-dimethyl-1,3-benzoxazol-2-yl)-2-methylphenyl]carbamothioyl]-2-phenylacetamide
Formula:C25H23N3O2S
Mutagenic:none
Tumorigenic:none
Reproductive Effective:high
N-[[3-(5,7-dimethyl-1,3-benzoxazol-2-yl)-2-methylphenyl]carbamothioyl]-2-phenylacetamide is not a drug-like molecule.
| MolName | N-[[3-(5,7-dimethyl-1,3-benzoxazol-2-yl)-2-methylphenyl]carbamothioyl]-2-phenylacetamide |
| MolecularFormula | C25H23N3O2S |
| Smiles | Cc(cc1C)cc2c1oc(-c1cccc(NC(NC(Cc3ccccc3)=O)=S)c1C)n2 |
| InChI | InChI=1S/C25H23N3O2S/c1-15-12-16(2)23-21(13-15)26-24(30-23)19-10-7-11-20(17(19)3)27-25(31)28-22(29)14-18-8-5-4-6-9-18/h4-13H,14H2,1-3H3,(H2,27,28,29,31) |
| InChIK | BXBIVLATLYBQDZ-UHFFFAOYSA-N |
| TotalMolweight | 429.543 |
| Molweight | 429.543 |
| MonoisotopicMass | 429.151097 |
| CLogP | 5.6741 |
| CLogS | -7.66 |
| H Acceptors | 5 |
| H Donors | 2 |
| TotalSurfaceArea | 339.75 |
| Relative PSA | 0.26208 |
| PolarSurfaceArea | 99.25 |
| Druglikeness | 1.1493 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | high |
| Irritant | low |
| Nasty Functions | thio-amide/urea |
| Shape Index | 0.58065 |
| Fragments | 1 |
| Non HAtoms | 31 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| Rotatable Bond | 4 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 4 |
| Aromatic Atoms | 21 |
| Sp3Atoms | 5 |
| Symmetricatoms | 2 |
| Amides | 1 |
| Aromatic Nitrogens | 1 |
| StereoCon |
Click to Load Molecule:
1 - N-[[3-(5,7-dimethyl-1,3-benzoxazol-2-yl)-2-methylphenyl]carbamothioyl]-2-phenylacetamide | 2 - N-[[3-(5,7-dimethyl-1,3-benzoxazol-2-yl)-2-methylphenyl]carbamothioyl]-2-phenylacetamide
Spacefill |
Wire |
Ball & Stick |
Iso-vdw |
Opaque |
Dot Surface |
Mep |
Translucent |
Spin |
Label On |
Off