(2S)-2-(3-chlorophenyl)-3-[(Z)-(3-chlorophenyl)methylideneamino]-1,2-dihydroquinazolin-4-one
Formula:C21H15N3OCl2
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(2S)-2-(3-chlorophenyl)-3-[(Z)-(3-chlorophenyl)methylideneamino]-1,2-dihydroquinazolin-4-one is a drug-like molecule.
| MolName | (2S)-2-(3-chlorophenyl)-3-[(Z)-(3-chlorophenyl)methylideneamino]-1,2-dihydroquinazolin-4-one |
| MolecularFormula | C21H15N3OCl2 |
| Smiles | O=C(c(cccc1)c1N[C@@H]1c2cc(Cl)ccc2)N1/N=C\c1cccc(Cl)c1 |
| InChI | InChI=1S/C21H15Cl2N3O/c22-16-7-3-5-14(11-16)13-24-26-20(15-6-4-8-17(23)12-15)25-19-10-2-1-9-18(19)21(26)27/h1-13,20,25H/t20-/m0/s1 |
| InChIK | ZAVZPRHISGHJFE-FQEVSTJZSA-N |
| TotalMolweight | 396.276 |
| Molweight | 396.276 |
| MonoisotopicMass | 395.059216 |
| CLogP | 4.9128 |
| CLogS | -6.105 |
| H Acceptors | 4 |
| H Donors | 1 |
| TotalSurfaceArea | 286.89 |
| Relative PSA | 0.13789 |
| PolarSurfaceArea | 44.7 |
| Druglikeness | 4.0494 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | imine/hydrazone of aldehyde |
| Shape Index | 0.44444 |
| Fragments | 1 |
| Non HAtoms | 27 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| StereoCenters | 1 |
| Rotatable Bond | 3 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 18 |
| Sp3Atoms | 1 |
| StereoCon | this enantiomer |
Click to Load Molecule:
1 - (2S)-2-(3-chlorophenyl)-3-[(Z)-(3-chlorophenyl)methylideneamino]-1,2-dihydroquinazolin-4-one | 2 - (2S)-2-(3-chlorophenyl)-3-[(Z)-(3-chlorophenyl)methylideneamino]-1,2-dihydroquinazolin-4-one
Spacefill |
Wire |
Ball & Stick |
Iso-vdw |
Opaque |
Dot Surface |
Mep |
Translucent |
Spin |
Label On |
Off