(3Z)-1,2-dicyclohexyl-3-[1-(2-phenylethyl)pyridin-2-ylidene]guanidine
Formula:C26H36N4
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(3Z)-1,2-dicyclohexyl-3-[1-(2-phenylethyl)pyridin-2-ylidene]guanidine is a drug-like molecule.
| MolName | (3Z)-1,2-dicyclohexyl-3-[1-(2-phenylethyl)pyridin-2-ylidene]guanidine |
| MolecularFormula | C26H36N4 |
| Smiles | C(CN(C=CC=C1)/C1=N\C(\NC1CCCCC1)=N\C1CCCCC1)c1ccccc1 |
| InChI | InChI=1S/C26H36N4/c1-4-12-22(13-5-1)19-21-30-20-11-10-18-25(30)29-26(27-23-14-6-2-7-15-23)28-24-16-8-3-9-17-24/h1,4-5,10-13,18,20,23-24H,2-3,6-9,14-17,19,21H2,(H,27,28)/b29-25- |
| InChIK | CXPGZHWZYDHZIS-GNVQSUKOSA-N |
| TotalMolweight | 404.6 |
| Molweight | 404.6 |
| MonoisotopicMass | 404.293996 |
| CLogP | 4.8864 |
| CLogS | -5.897 |
| H Acceptors | 4 |
| H Donors | 1 |
| TotalSurfaceArea | 343.58 |
| Relative PSA | 0.11069 |
| PolarSurfaceArea | 39.99 |
| Druglikeness | -3.0956 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.5 |
| Fragments | 1 |
| Non HAtoms | 30 |
| NonCHAtoms | 4 |
| Electronegative Atoms | 4 |
| Rotatable Bond | 5 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 1 |
| Aromatic Atoms | 6 |
| Sp3Atoms | 14 |
| Symmetricatoms | 6 |
| BasicNitrogens | 2 |
| StereoCon |
Click to Load Molecule:
1 - (3Z)-1,2-dicyclohexyl-3-[1-(2-phenylethyl)pyridin-2-ylidene]guanidine | 2 - (3Z)-1,2-dicyclohexyl-3-[1-(2-phenylethyl)pyridin-2-ylidene]guanidine
Spacefill |
Wire |
Ball & Stick |
Iso-vdw |
Opaque |
Dot Surface |
Mep |
Translucent |
Spin |
Label On |
Off