[(Z)-[2-[(4-chlorophenyl)methylsulfanyl]pyrimidin-4-yl]methylideneamino] 2,6-dichloropyridine-4-carboxylate
Formula:C18H11N4O2Cl3S
Mutagenic:high
Tumorigenic:none
Reproductive Effective:none
[(Z)-[2-[(4-chlorophenyl)methylsulfanyl]pyrimidin-4-yl]methylideneamino] 2,6-dichloropyridine-4-carboxylate is not a drug-like molecule.
| MolName | [(Z)-[2-[(4-chlorophenyl)methylsulfanyl]pyrimidin-4-yl]methylideneamino] 2,6-dichloropyridine-4-carboxylate |
| MolecularFormula | C18H11N4O2Cl3S |
| Smiles | O=C(c1cc(Cl)nc(Cl)c1)O/N=C\c1nc(SCc(cc2)ccc2Cl)ncc1 |
| InChI | InChI=1S/C18H11Cl3N4O2S/c19-13-3-1-11(2-4-13)10-28-18-22-6-5-14(24-18)9-23-27-17(26)12-7-15(20)25-16(21)8-12/h1-9H,10H2 |
| InChIK | RAIXIVCKJURNDY-UHFFFAOYSA-N |
| TotalMolweight | 453.736 |
| Molweight | 453.736 |
| MonoisotopicMass | 451.966827 |
| CLogP | 5.6243 |
| CLogS | -5.928 |
| H Acceptors | 6 |
| TotalSurfaceArea | 319.08 |
| Relative PSA | 0.26623 |
| PolarSurfaceArea | 102.63 |
| Druglikeness | -2.6646 |
| Mutagenic | high |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.64286 |
| Fragments | 1 |
| Non HAtoms | 28 |
| NonCHAtoms | 10 |
| Electronegative Atoms | 10 |
| Rotatable Bond | 7 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 18 |
| Sp3Atoms | 3 |
| Symmetricatoms | 5 |
| Aromatic Nitrogens | 3 |
| StereoCon |
Click to Load Molecule:
1 - [(Z)-[2-[(4-chlorophenyl)methylsulfanyl]pyrimidin-4-yl]methylideneamino] 2,6-dichloropyridine-4-carboxylate | 2 - [(Z)-[2-[(4-chlorophenyl)methylsulfanyl]pyrimidin-4-yl]methylideneamino] 2,6-dichloropyridine-4-carboxylate
Spacefill |
Wire |
Ball & Stick |
Iso-vdw |
Opaque |
Dot Surface |
Mep |
Translucent |
Spin |
Label On |
Off