(E)-N-(1-adamantylcarbamothioyl)-3-(4-chlorophenyl)prop-2-enamide
Formula:C20H23N2OClS
Mutagenic:none
Tumorigenic:none
Reproductive Effective:high
(E)-N-(1-adamantylcarbamothioyl)-3-(4-chlorophenyl)prop-2-enamide is a drug-like molecule.
| MolName | (E)-N-(1-adamantylcarbamothioyl)-3-(4-chlorophenyl)prop-2-enamide |
| MolecularFormula | C20H23N2OClS |
| Smiles | O=C(/C=C/c(cc1)ccc1Cl)NC(NC1(CC(C2)C3)CC3CC2C1)=S |
| InChI | InChI=1S/C20H23ClN2OS/c21-17-4-1-13(2-5-17)3-6-18(24)22-19(25)23-20-10-14-7-15(11-20)9-16(8-14)12-20/h1-6,14-16H,7-12H2,(H2,22,23,24,25) |
| InChIK | BMUIULJKZCLAGT-UHFFFAOYSA-N |
| TotalMolweight | 374.935 |
| Molweight | 374.935 |
| MonoisotopicMass | 374.12196 |
| CLogP | 4.2912 |
| CLogS | -5.607 |
| H Acceptors | 3 |
| H Donors | 2 |
| TotalSurfaceArea | 278.53 |
| Relative PSA | 0.22963 |
| PolarSurfaceArea | 73.22 |
| Druglikeness | 0.18311 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | high |
| Irritant | none |
| Nasty Functions | thio-amide/urea |
| Shape Index | 0.6 |
| Fragments | 1 |
| Non HAtoms | 25 |
| NonCHAtoms | 5 |
| Electronegative Atoms | 5 |
| Rotatable Bond | 3 |
| Rings Closures | 4 |
| Small Rings | 5 |
| Aromatic Rings | 1 |
| Aromatic Atoms | 6 |
| Sp3Atoms | 11 |
| Symmetricatoms | 8 |
| Amides | 1 |
| StereoCon |
Click to Load Molecule:
1 - (E)-N-(1-adamantylcarbamothioyl)-3-(4-chlorophenyl)prop-2-enamide | 2 - (E)-N-(1-adamantylcarbamothioyl)-3-(4-chlorophenyl)prop-2-enamide
Spacefill |
Wire |
Ball & Stick |
Iso-vdw |
Opaque |
Dot Surface |
Mep |
Translucent |
Spin |
Label On |
Off