3-(2-chlorophenyl)-2-[(7-hydroxy-2-oxochromen-4-yl)methylsulfanyl]quinazolin-4-one
Formula:C24H15N2O4ClS
Mutagenic:none
Tumorigenic:none
Reproductive Effective:high
3-(2-chlorophenyl)-2-[(7-hydroxy-2-oxochromen-4-yl)methylsulfanyl]quinazolin-4-one is a drug-like molecule.
| MolName | 3-(2-chlorophenyl)-2-[(7-hydroxy-2-oxochromen-4-yl)methylsulfanyl]quinazolin-4-one |
| MolecularFormula | C24H15N2O4ClS |
| Smiles | Oc(cc1)cc(O2)c1C(CSC(N1c(cccc3)c3Cl)=Nc(cccc3)c3C1=O)=CC2=O |
| InChI | InChI=1S/C24H15ClN2O4S/c25-18-6-2-4-8-20(18)27-23(30)17-5-1-3-7-19(17)26-24(27)32-13-14-11-22(29)31-21-12-15(28)9-10-16(14)21/h1-12,28H,13H2 |
| InChIK | BLUAFIAXXBHURP-UHFFFAOYSA-N |
| TotalMolweight | 462.912 |
| Molweight | 462.912 |
| MonoisotopicMass | 462.044105 |
| CLogP | 4.2886 |
| CLogS | -6.113 |
| H Acceptors | 6 |
| H Donors | 1 |
| TotalSurfaceArea | 322.28 |
| Relative PSA | 0.2536 |
| PolarSurfaceArea | 104.5 |
| Druglikeness | 0.48167 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | high |
| Irritant | low |
| Nasty Functions | |
| Shape Index | 0.4375 |
| Fragments | 1 |
| Non HAtoms | 32 |
| NonCHAtoms | 8 |
| Electronegative Atoms | 8 |
| Rotatable Bond | 4 |
| Rings Closures | 5 |
| Small Rings | 5 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 18 |
| Sp3Atoms | 4 |
| Amides | 1 |
| StereoCon |
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1 - 3-(2-chlorophenyl)-2-[(7-hydroxy-2-oxochromen-4-yl)methylsulfanyl]quinazolin-4-one | 2 - 3-(2-chlorophenyl)-2-[(7-hydroxy-2-oxochromen-4-yl)methylsulfanyl]quinazolin-4-one
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