(E)-2-(benzenesulfonyl)-3-[2-(2-chlorophenoxy)-4-oxopyrido[1,2-a]pyrimidin-3-yl]prop-2-enenitrile
Formula:C23H14N3O4ClS
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(E)-2-(benzenesulfonyl)-3-[2-(2-chlorophenoxy)-4-oxopyrido[1,2-a]pyrimidin-3-yl]prop-2-enenitrile is a drug-like molecule.
| MolName | (E)-2-(benzenesulfonyl)-3-[2-(2-chlorophenoxy)-4-oxopyrido[1,2-a]pyrimidin-3-yl]prop-2-enenitrile |
| MolecularFormula | C23H14N3O4ClS |
| Smiles | N#C/C(/S(c1ccccc1)(=O)=O)=C\C(C(N(C=CC=C1)C1=N1)=O)=C1Oc(cccc1)c1Cl |
| InChI | InChI=1S/C23H14ClN3O4S/c24-19-10-4-5-11-20(19)31-22-18(23(28)27-13-7-6-12-21(27)26-22)14-17(15-25)32(29,30)16-8-2-1-3-9-16/h1-14H |
| InChIK | GFQMBGDVXCHSPC-UHFFFAOYSA-N |
| TotalMolweight | 463.9 |
| Molweight | 463.9 |
| MonoisotopicMass | 463.039354 |
| CLogP | 2.8749 |
| CLogS | -6.758 |
| H Acceptors | 7 |
| TotalSurfaceArea | 333.38 |
| Relative PSA | 0.24069 |
| PolarSurfaceArea | 108.21 |
| Druglikeness | -8.5095 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | low |
| Nasty Functions | polar activated DB |
| Shape Index | 0.4375 |
| Fragments | 1 |
| Non HAtoms | 32 |
| NonCHAtoms | 9 |
| Electronegative Atoms | 9 |
| Rotatable Bond | 5 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 2 |
| Symmetricatoms | 3 |
| Amides | 1 |
| BasicNitrogens | 1 |
| StereoCon |
Click to Load Molecule:
1 - (E)-2-(benzenesulfonyl)-3-[2-(2-chlorophenoxy)-4-oxopyrido[1,2-a]pyrimidin-3-yl]prop-2-enenitrile | 2 - (E)-2-(benzenesulfonyl)-3-[2-(2-chlorophenoxy)-4-oxopyrido[1,2-a]pyrimidin-3-yl]prop-2-enenitrile
Spacefill |
Wire |
Ball & Stick |
Iso-vdw |
Opaque |
Dot Surface |
Mep |
Translucent |
Spin |
Label On |
Off