N-[(Z)-anthracen-9-ylmethylideneamino]-2-[3-(4-chlorophenyl)-4-oxoquinazolin-2-yl]sulfanylacetamide
Formula:C31H21N4O2ClS
Mutagenic:high
Tumorigenic:high
Reproductive Effective:none
N-[(Z)-anthracen-9-ylmethylideneamino]-2-[3-(4-chlorophenyl)-4-oxoquinazolin-2-yl]sulfanylacetamide is not a drug-like molecule.
| MolName | N-[(Z)-anthracen-9-ylmethylideneamino]-2-[3-(4-chlorophenyl)-4-oxoquinazolin-2-yl]sulfanylacetamide |
| MolecularFormula | C31H21N4O2ClS |
| Smiles | O=C(CSC(N1c(cc2)ccc2Cl)=Nc(cccc2)c2C1=O)N/N=C\c1c(cccc2)c2cc2ccccc12 |
| InChI | InChI=1S/C31H21ClN4O2S/c32-22-13-15-23(16-14-22)36-30(38)26-11-5-6-12-28(26)34-31(36)39-19-29(37)35-33-18-27-24-9-3-1-7-20(24)17-21-8-2-4-10-25(21)27/h1-18H,19H2,(H,35,37) |
| InChIK | CXABZPGVXWYLMT-UHFFFAOYSA-N |
| TotalMolweight | 549.053 |
| Molweight | 549.053 |
| MonoisotopicMass | 548.107373 |
| CLogP | 7.2053 |
| CLogS | -10.073 |
| H Acceptors | 6 |
| H Donors | 1 |
| TotalSurfaceArea | 400.14 |
| Relative PSA | 0.20393 |
| PolarSurfaceArea | 99.43 |
| Druglikeness | 5.7508 |
| Mutagenic | high |
| Tumorigenic | high |
| Reproductive Effective | none |
| Irritant | high |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.46154 |
| Fragments | 1 |
| Non HAtoms | 39 |
| NonCHAtoms | 8 |
| Electronegative Atoms | 8 |
| Rotatable Bond | 6 |
| Rings Closures | 6 |
| Small Rings | 6 |
| Aromatic Rings | 5 |
| Aromatic Atoms | 26 |
| Sp3Atoms | 2 |
| Symmetricatoms | 8 |
| Amides | 1 |
| StereoCon |
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