[4-[(Z)-(5-imino-7-oxo-2-pyridin-3-yl-[1,3,4]thiadiazolo[3,2-a]pyrimidin-6-ylidene)methyl]phenyl] 2-chlorobenzoate
Formula:C24H14N5O3ClS
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
[4-[(Z)-(5-imino-7-oxo-2-pyridin-3-yl-[1,3,4]thiadiazolo[3,2-a]pyrimidin-6-ylidene)methyl]phenyl] 2-chlorobenzoate is a drug-like molecule.
| MolName | [4-[(Z)-(5-imino-7-oxo-2-pyridin-3-yl-[1,3,4]thiadiazolo[3,2-a]pyrimidin-6-ylidene)methyl]phenyl] 2-chlorobenzoate |
| MolecularFormula | C24H14N5O3ClS |
| Smiles | N=C(/C1=C/c(cc2)ccc2OC(c(cccc2)c2Cl)=O)N2N=C(c3cnccc3)SC2=NC1=O |
| InChI | InChI=1S/C24H14ClN5O3S/c25-19-6-2-1-5-17(19)23(32)33-16-9-7-14(8-10-16)12-18-20(26)30-24(28-21(18)31)34-22(29-30)15-4-3-11-27-13-15/h1-13,26H |
| InChIK | ZOSIDVZGPCGOHL-UHFFFAOYSA-N |
| TotalMolweight | 487.926 |
| Molweight | 487.926 |
| MonoisotopicMass | 487.050587 |
| CLogP | 3.9792 |
| CLogS | -5.674 |
| H Acceptors | 8 |
| H Donors | 1 |
| TotalSurfaceArea | 344.21 |
| Relative PSA | 0.31001 |
| PolarSurfaceArea | 133.37 |
| Druglikeness | 4.9917 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | twice activated DB |
| Shape Index | 0.58824 |
| Fragments | 1 |
| Non HAtoms | 34 |
| NonCHAtoms | 10 |
| Electronegative Atoms | 10 |
| Rotatable Bond | 5 |
| Rings Closures | 5 |
| Small Rings | 5 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 18 |
| Sp3Atoms | 2 |
| Symmetricatoms | 2 |
| Aromatic Nitrogens | 1 |
| BasicNitrogens | 1 |
| StereoCon |
Click to Load Molecule:
1 - [4-[(Z)-(5-imino-7-oxo-2-pyridin-3-yl-[1,3,4]thiadiazolo[3,2-a]pyrimidin-6-ylidene)methyl]phenyl] 2-chlorobenzoate | 2 - [4-[(Z)-(5-imino-7-oxo-2-pyridin-3-yl-[1,3,4]thiadiazolo[3,2-a]pyrimidin-6-ylidene)methyl]phenyl] 2-chlorobenzoate
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