N-[(Z)-[2-(4-chlorophenyl)sulfanyl-4-oxopyrido[1,2-a]pyrimidin-3-yl]methylideneamino]-2-hydroxybenzamide
Formula:C22H15N4O3ClS
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N-[(Z)-[2-(4-chlorophenyl)sulfanyl-4-oxopyrido[1,2-a]pyrimidin-3-yl]methylideneamino]-2-hydroxybenzamide is a drug-like molecule.
| MolName | N-[(Z)-[2-(4-chlorophenyl)sulfanyl-4-oxopyrido[1,2-a]pyrimidin-3-yl]methylideneamino]-2-hydroxybenzamide |
| MolecularFormula | C22H15N4O3ClS |
| Smiles | Oc(cccc1)c1C(N/N=C\C(C(N(C=CC=C1)C1=N1)=O)=C1Sc(cc1)ccc1Cl)=O |
| InChI | InChI=1S/C22H15ClN4O3S/c23-14-8-10-15(11-9-14)31-21-17(22(30)27-12-4-3-7-19(27)25-21)13-24-26-20(29)16-5-1-2-6-18(16)28/h1-13,28H,(H,26,29) |
| InChIK | PAUBERXZLWGYJW-UHFFFAOYSA-N |
| TotalMolweight | 450.905 |
| Molweight | 450.905 |
| MonoisotopicMass | 450.055338 |
| CLogP | 2.9249 |
| CLogS | -5.54 |
| H Acceptors | 7 |
| H Donors | 2 |
| TotalSurfaceArea | 326.19 |
| Relative PSA | 0.29032 |
| PolarSurfaceArea | 119.66 |
| Druglikeness | 6.7571 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | polar activated DB; twice activated DB; acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.51613 |
| Fragments | 1 |
| Non HAtoms | 31 |
| NonCHAtoms | 9 |
| Electronegative Atoms | 9 |
| Rotatable Bond | 5 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 2 |
| Symmetricatoms | 2 |
| Amides | 1 |
| BasicNitrogens | 1 |
| StereoCon |
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1 - N-[(Z)-[2-(4-chlorophenyl)sulfanyl-4-oxopyrido[1,2-a]pyrimidin-3-yl]methylideneamino]-2-hydroxybenzamide | 2 - N-[(Z)-[2-(4-chlorophenyl)sulfanyl-4-oxopyrido[1,2-a]pyrimidin-3-yl]methylideneamino]-2-hydroxybenzamide
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