N-(4-cyanophenyl)-4-[(E)-3-phenylprop-2-enoyl]-1-thia-4,8-diazaspiro[4.5]decane-8-carboxamide
Formula:C24H24N4O2S
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N-(4-cyanophenyl)-4-[(E)-3-phenylprop-2-enoyl]-1-thia-4,8-diazaspiro[4.5]decane-8-carboxamide is a drug-like molecule.
| MolName | N-(4-cyanophenyl)-4-[(E)-3-phenylprop-2-enoyl]-1-thia-4,8-diazaspiro[4.5]decane-8-carboxamide |
| MolecularFormula | C24H24N4O2S |
| Smiles | N#Cc(cc1)ccc1NC(N(CC1)CCC11SCCN1C(/C=C/c1ccccc1)=O)=O |
| InChI | InChI=1S/C24H24N4O2S/c25-18-20-6-9-21(10-7-20)26-23(30)27-14-12-24(13-15-27)28(16-17-31-24)22(29)11-8-19-4-2-1-3-5-19/h1-11H,12-17H2,(H,26,30) |
| InChIK | PYVULZPEWKQNLS-UHFFFAOYSA-N |
| TotalMolweight | 432.547 |
| Molweight | 432.547 |
| MonoisotopicMass | 432.161996 |
| CLogP | 4.4532 |
| CLogS | -5.862 |
| H Acceptors | 6 |
| H Donors | 1 |
| TotalSurfaceArea | 332.25 |
| Relative PSA | 0.22781 |
| PolarSurfaceArea | 101.74 |
| Druglikeness | -0.20904 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.64516 |
| Fragments | 1 |
| Non HAtoms | 31 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| Rotatable Bond | 3 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 8 |
| Symmetricatoms | 6 |
| Amides | 3 |
| StereoCon |
Click to Load Molecule:
1 - N-(4-cyanophenyl)-4-[(E)-3-phenylprop-2-enoyl]-1-thia-4,8-diazaspiro[4.5]decane-8-carboxamide | 2 - N-(4-cyanophenyl)-4-[(E)-3-phenylprop-2-enoyl]-1-thia-4,8-diazaspiro[4.5]decane-8-carboxamide
Spacefill |
Wire |
Ball & Stick |
Iso-vdw |
Opaque |
Dot Surface |
Mep |
Translucent |
Spin |
Label On |
Off