6-chloro-4-phenyl-N-[(Z)-thiophen-2-ylmethylideneamino]quinazolin-2-amine
Formula:C19H13N4ClS
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
6-chloro-4-phenyl-N-[(Z)-thiophen-2-ylmethylideneamino]quinazolin-2-amine is not a drug-like molecule.
| MolName | 6-chloro-4-phenyl-N-[(Z)-thiophen-2-ylmethylideneamino]quinazolin-2-amine |
| MolecularFormula | C19H13N4ClS |
| Smiles | Clc1cc2c(-c3ccccc3)nc(N/N=C\c3cccs3)nc2cc1 |
| InChI | InChI=1S/C19H13ClN4S/c20-14-8-9-17-16(11-14)18(13-5-2-1-3-6-13)23-19(22-17)24-21-12-15-7-4-10-25-15/h1-12H,(H,22,23,24) |
| InChIK | BXHYZVHIJYOZPS-UHFFFAOYSA-N |
| TotalMolweight | 364.859 |
| Molweight | 364.859 |
| MonoisotopicMass | 364.054943 |
| CLogP | 7.1869 |
| CLogS | -6.441 |
| H Acceptors | 4 |
| H Donors | 1 |
| TotalSurfaceArea | 272.48 |
| Relative PSA | 0.23954 |
| PolarSurfaceArea | 78.41 |
| Druglikeness | 4.1212 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | imine/hydrazone of aldehyde |
| Shape Index | 0.52 |
| Fragments | 1 |
| Non HAtoms | 25 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| Rotatable Bond | 4 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 4 |
| Aromatic Atoms | 21 |
| Symmetricatoms | 2 |
| Aromatic Nitrogens | 2 |
| StereoCon |
Click to Load Molecule:
1 - 6-chloro-4-phenyl-N-[(Z)-thiophen-2-ylmethylideneamino]quinazolin-2-amine | 2 - 6-chloro-4-phenyl-N-[(Z)-thiophen-2-ylmethylideneamino]quinazolin-2-amine
Spacefill |
Wire |
Ball & Stick |
Iso-vdw |
Opaque |
Dot Surface |
Mep |
Translucent |
Spin |
Label On |
Off