[4-[(Z)-[2-[(4-chlorophenyl)methyl]-5-imino-7-oxo-[1,3,4]thiadiazolo[3,2-a]pyrimidin-6-ylidene]methyl]phenyl] furan-2-carboxylate
Formula:C24H15N4O4ClS
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
[4-[(Z)-[2-[(4-chlorophenyl)methyl]-5-imino-7-oxo-[1,3,4]thiadiazolo[3,2-a]pyrimidin-6-ylidene]methyl]phenyl] furan-2-carboxylate is a drug-like molecule.
| MolName | [4-[(Z)-[2-[(4-chlorophenyl)methyl]-5-imino-7-oxo-[1,3,4]thiadiazolo[3,2-a]pyrimidin-6-ylidene]methyl]phenyl] furan-2-carboxylate |
| MolecularFormula | C24H15N4O4ClS |
| Smiles | N=C(/C1=C/c(cc2)ccc2OC(c2ccco2)=O)N2N=C(Cc(cc3)ccc3Cl)SC2=NC1=O |
| InChI | InChI=1S/C24H15ClN4O4S/c25-16-7-3-15(4-8-16)13-20-28-29-21(26)18(22(30)27-24(29)34-20)12-14-5-9-17(10-6-14)33-23(31)19-2-1-11-32-19/h1-12,26H,13H2 |
| InChIK | MKQAGQXNZRLPML-UHFFFAOYSA-N |
| TotalMolweight | 490.926 |
| Molweight | 490.926 |
| MonoisotopicMass | 490.050253 |
| CLogP | 3.2273 |
| CLogS | -4.859 |
| H Acceptors | 8 |
| H Donors | 1 |
| TotalSurfaceArea | 348.9 |
| Relative PSA | 0.31485 |
| PolarSurfaceArea | 133.62 |
| Druglikeness | 5.0161 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | twice activated DB |
| Shape Index | 0.61765 |
| Fragments | 1 |
| Non HAtoms | 34 |
| NonCHAtoms | 10 |
| Electronegative Atoms | 10 |
| Rotatable Bond | 6 |
| Rings Closures | 5 |
| Small Rings | 5 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 17 |
| Sp3Atoms | 3 |
| Symmetricatoms | 4 |
| BasicNitrogens | 1 |
| StereoCon |
Click to Load Molecule:
1 - [4-[(Z)-[2-[(4-chlorophenyl)methyl]-5-imino-7-oxo-[1,3,4]thiadiazolo[3,2-a]pyrimidin-6-ylidene]methyl]phenyl] furan-2-carboxylate | 2 - [4-[(Z)-[2-[(4-chlorophenyl)methyl]-5-imino-7-oxo-[1,3,4]thiadiazolo[3,2-a]pyrimidin-6-ylidene]methyl]phenyl] furan-2-carboxylate
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