(6Z)-6-[[3-chloro-4-[(2-nitrophenyl)methoxy]phenyl]methylidene]-5-imino-2-pyridin-3-yl-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one
Formula:C24H15N6O4ClS
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(6Z)-6-[[3-chloro-4-[(2-nitrophenyl)methoxy]phenyl]methylidene]-5-imino-2-pyridin-3-yl-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one is not a drug-like molecule.
| MolName | (6Z)-6-[[3-chloro-4-[(2-nitrophenyl)methoxy]phenyl]methylidene]-5-imino-2-pyridin-3-yl-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one |
| MolecularFormula | C24H15N6O4ClS |
| Smiles | N=C(/C1=C/c(cc2)cc(Cl)c2OCc(cccc2)c2[N+]([O-])=O)N2N=C(c3cnccc3)SC2=NC1=O |
| InChI | InChI=1S/C24H15ClN6O4S/c25-18-11-14(7-8-20(18)35-13-16-4-1-2-6-19(16)31(33)34)10-17-21(26)30-24(28-22(17)32)36-23(29-30)15-5-3-9-27-12-15/h1-12,26H,13H2 |
| InChIK | IISLVVDVMMINHG-UHFFFAOYSA-N |
| TotalMolweight | 518.94 |
| Molweight | 518.94 |
| MonoisotopicMass | 518.056401 |
| CLogP | 3.5576 |
| CLogS | -6.005 |
| H Acceptors | 10 |
| H Donors | 1 |
| TotalSurfaceArea | 363.89 |
| Relative PSA | 0.34101 |
| PolarSurfaceArea | 162.12 |
| Druglikeness | -0.11137 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | twice activated DB; aromatic nitro |
| Shape Index | 0.55556 |
| Fragments | 1 |
| Non HAtoms | 36 |
| NonCHAtoms | 12 |
| Electronegative Atoms | 12 |
| Rotatable Bond | 6 |
| Rings Closures | 5 |
| Small Rings | 5 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 18 |
| Sp3Atoms | 4 |
| Aromatic Nitrogens | 1 |
| BasicNitrogens | 1 |
| AcidicOxygens | 1 |
| StereoCon |
Click to Load Molecule:
1 - (6Z)-6-[[3-chloro-4-[(2-nitrophenyl)methoxy]phenyl]methylidene]-5-imino-2-pyridin-3-yl-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one | 2 - (6Z)-6-[[3-chloro-4-[(2-nitrophenyl)methoxy]phenyl]methylidene]-5-imino-2-pyridin-3-yl-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one
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