(6Z)-6-[[4-[(2-chlorophenyl)methoxy]phenyl]methylidene]-5-imino-2-pyridin-3-yl-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one
Formula:C24H16N5O2ClS
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(6Z)-6-[[4-[(2-chlorophenyl)methoxy]phenyl]methylidene]-5-imino-2-pyridin-3-yl-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one is a drug-like molecule.
| MolName | (6Z)-6-[[4-[(2-chlorophenyl)methoxy]phenyl]methylidene]-5-imino-2-pyridin-3-yl-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one |
| MolecularFormula | C24H16N5O2ClS |
| Smiles | N=C(/C1=C/c(cc2)ccc2OCc(cccc2)c2Cl)N2N=C(c3cnccc3)SC2=NC1=O |
| InChI | InChI=1S/C24H16ClN5O2S/c25-20-6-2-1-4-17(20)14-32-18-9-7-15(8-10-18)12-19-21(26)30-24(28-22(19)31)33-23(29-30)16-5-3-11-27-13-16/h1-13,26H,14H2 |
| InChIK | AQPNIIPDWSNMPW-UHFFFAOYSA-N |
| TotalMolweight | 473.943 |
| Molweight | 473.943 |
| MonoisotopicMass | 473.071322 |
| CLogP | 3.8968 |
| CLogS | -5.545 |
| H Acceptors | 7 |
| H Donors | 1 |
| TotalSurfaceArea | 340.22 |
| Relative PSA | 0.27532 |
| PolarSurfaceArea | 116.3 |
| Druglikeness | 4.9201 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | twice activated DB |
| Shape Index | 0.60606 |
| Fragments | 1 |
| Non HAtoms | 33 |
| NonCHAtoms | 9 |
| Electronegative Atoms | 9 |
| Rotatable Bond | 5 |
| Rings Closures | 5 |
| Small Rings | 5 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 18 |
| Sp3Atoms | 3 |
| Symmetricatoms | 2 |
| Aromatic Nitrogens | 1 |
| BasicNitrogens | 1 |
| StereoCon |
Click to Load Molecule:
1 - (6Z)-6-[[4-[(2-chlorophenyl)methoxy]phenyl]methylidene]-5-imino-2-pyridin-3-yl-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one | 2 - (6Z)-6-[[4-[(2-chlorophenyl)methoxy]phenyl]methylidene]-5-imino-2-pyridin-3-yl-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one
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