N-[(Z)-(2-benzylsulfanyl-4-oxopyrido[1,2-a]pyrimidin-3-yl)methylideneamino]-2-hydroxybenzamide
Formula:C23H18N4O3S
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N-[(Z)-(2-benzylsulfanyl-4-oxopyrido[1,2-a]pyrimidin-3-yl)methylideneamino]-2-hydroxybenzamide is a drug-like molecule.
| MolName | N-[(Z)-(2-benzylsulfanyl-4-oxopyrido[1,2-a]pyrimidin-3-yl)methylideneamino]-2-hydroxybenzamide |
| MolecularFormula | C23H18N4O3S |
| Smiles | Oc(cccc1)c1C(N/N=C\C(C(N(C=CC=C1)C1=N1)=O)=C1SCc1ccccc1)=O |
| InChI | InChI=1S/C23H18N4O3S/c28-19-11-5-4-10-17(19)21(29)26-24-14-18-22(31-15-16-8-2-1-3-9-16)25-20-12-6-7-13-27(20)23(18)30/h1-14,28H,15H2,(H,26,29) |
| InChIK | IUEIVQOMRISDIP-UHFFFAOYSA-N |
| TotalMolweight | 430.487 |
| Molweight | 430.487 |
| MonoisotopicMass | 430.109961 |
| CLogP | 2.2957 |
| CLogS | -5.048 |
| H Acceptors | 7 |
| H Donors | 2 |
| TotalSurfaceArea | 324.53 |
| Relative PSA | 0.29181 |
| PolarSurfaceArea | 119.66 |
| Druglikeness | 6.7831 |
| 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 | 8 |
| Electronegative Atoms | 8 |
| Rotatable Bond | 6 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 3 |
| Symmetricatoms | 2 |
| Amides | 1 |
| BasicNitrogens | 1 |
| StereoCon |
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