2-[3-(4-chlorophenyl)-4-oxoquinazolin-2-yl]sulfanyl-N-[(Z)-(4-phenylmethoxyphenyl)methylideneamino]acetamide
Formula:C30H23N4O3ClS
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
2-[3-(4-chlorophenyl)-4-oxoquinazolin-2-yl]sulfanyl-N-[(Z)-(4-phenylmethoxyphenyl)methylideneamino]acetamide is not a drug-like molecule.
| MolName | 2-[3-(4-chlorophenyl)-4-oxoquinazolin-2-yl]sulfanyl-N-[(Z)-(4-phenylmethoxyphenyl)methylideneamino]acetamide |
| MolecularFormula | C30H23N4O3ClS |
| Smiles | O=C(CSC(N1c(cc2)ccc2Cl)=Nc(cccc2)c2C1=O)N/N=C\c(cc1)ccc1OCc1ccccc1 |
| InChI | InChI=1S/C30H23ClN4O3S/c31-23-12-14-24(15-13-23)35-29(37)26-8-4-5-9-27(26)33-30(35)39-20-28(36)34-32-18-21-10-16-25(17-11-21)38-19-22-6-2-1-3-7-22/h1-18H,19-20H2,(H,34,36) |
| InChIK | RLEAIZCTDLUNNG-UHFFFAOYSA-N |
| TotalMolweight | 555.057 |
| Molweight | 555.057 |
| MonoisotopicMass | 554.117938 |
| CLogP | 6.1646 |
| CLogS | -8.202 |
| H Acceptors | 7 |
| H Donors | 1 |
| TotalSurfaceArea | 414.46 |
| Relative PSA | 0.22101 |
| PolarSurfaceArea | 108.66 |
| Druglikeness | 5.455 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.58974 |
| Fragments | 1 |
| Non HAtoms | 39 |
| NonCHAtoms | 9 |
| Electronegative Atoms | 9 |
| Rotatable Bond | 9 |
| Rings Closures | 5 |
| Small Rings | 5 |
| Aromatic Rings | 4 |
| Aromatic Atoms | 24 |
| Sp3Atoms | 4 |
| Symmetricatoms | 6 |
| Amides | 1 |
| StereoCon |
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1 - 2-[3-(4-chlorophenyl)-4-oxoquinazolin-2-yl]sulfanyl-N-[(Z)-(4-phenylmethoxyphenyl)methylideneamino]acetamide | 2 - 2-[3-(4-chlorophenyl)-4-oxoquinazolin-2-yl]sulfanyl-N-[(Z)-(4-phenylmethoxyphenyl)methylideneamino]acetamide
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