2-(4-chlorophenyl)sulfanyl-3-[(Z)-hydroxyiminomethyl]pyrido[1,2-a]pyrimidin-4-one
Formula:C15H10N3O2ClS
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
2-(4-chlorophenyl)sulfanyl-3-[(Z)-hydroxyiminomethyl]pyrido[1,2-a]pyrimidin-4-one is a drug-like molecule.
| MolName | 2-(4-chlorophenyl)sulfanyl-3-[(Z)-hydroxyiminomethyl]pyrido[1,2-a]pyrimidin-4-one |
| MolecularFormula | C15H10N3O2ClS |
| Smiles | O/N=C\C(C(N(C=CC=C1)C1=N1)=O)=C1Sc(cc1)ccc1Cl |
| InChI | InChI=1S/C15H10ClN3O2S/c16-10-4-6-11(7-5-10)22-14-12(9-17-21)15(20)19-8-2-1-3-13(19)18-14/h1-9,21H |
| InChIK | SZBFRBXTQCBPTG-UHFFFAOYSA-N |
| TotalMolweight | 331.782 |
| Molweight | 331.782 |
| MonoisotopicMass | 331.018224 |
| CLogP | 2.2833 |
| CLogS | -4.43 |
| H Acceptors | 5 |
| H Donors | 1 |
| TotalSurfaceArea | 237.22 |
| Relative PSA | 0.29593 |
| PolarSurfaceArea | 90.56 |
| Druglikeness | 3.9073 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | polar activated DB; twice activated DB |
| Shape Index | 0.54545 |
| Fragments | 1 |
| Non HAtoms | 22 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| Rotatable Bond | 3 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 1 |
| Aromatic Atoms | 6 |
| Sp3Atoms | 2 |
| Symmetricatoms | 2 |
| Amides | 1 |
| BasicNitrogens | 1 |
| StereoCon |
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1 - 2-(4-chlorophenyl)sulfanyl-3-[(Z)-hydroxyiminomethyl]pyrido[1,2-a]pyrimidin-4-one | 2 - 2-(4-chlorophenyl)sulfanyl-3-[(Z)-hydroxyiminomethyl]pyrido[1,2-a]pyrimidin-4-one
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