4-[(4-chlorophenyl)sulfanylmethyl]-N-[(Z)-[3-(thietan-3-yloxy)phenyl]methylideneamino]benzamide
Formula:C24H21N2O2ClS2
Mutagenic:none
Tumorigenic:none
Reproductive Effective:high
4-[(4-chlorophenyl)sulfanylmethyl]-N-[(Z)-[3-(thietan-3-yloxy)phenyl]methylideneamino]benzamide is not a drug-like molecule.
| MolName | 4-[(4-chlorophenyl)sulfanylmethyl]-N-[(Z)-[3-(thietan-3-yloxy)phenyl]methylideneamino]benzamide |
| MolecularFormula | C24H21N2O2ClS2 |
| Smiles | O=C(c1ccc(CSc(cc2)ccc2Cl)cc1)N/N=C\c1cc(OC2CSC2)ccc1 |
| InChI | InChI=1S/C24H21ClN2O2S2/c25-20-8-10-23(11-9-20)31-14-17-4-6-19(7-5-17)24(28)27-26-13-18-2-1-3-21(12-18)29-22-15-30-16-22/h1-13,22H,14-16H2,(H,27,28) |
| InChIK | OPQAXARBYZDAQI-UHFFFAOYSA-N |
| TotalMolweight | 469.028 |
| Molweight | 469.028 |
| MonoisotopicMass | 468.073295 |
| CLogP | 5.8136 |
| CLogS | -7.735 |
| H Acceptors | 4 |
| H Donors | 1 |
| TotalSurfaceArea | 347.43 |
| Relative PSA | 0.23311 |
| PolarSurfaceArea | 101.29 |
| Druglikeness | 4.8829 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | high |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.70968 |
| Fragments | 1 |
| Non HAtoms | 31 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| Rotatable Bond | 8 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 18 |
| Sp3Atoms | 7 |
| Symmetricatoms | 5 |
| StereoCon |
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1 - 4-[(4-chlorophenyl)sulfanylmethyl]-N-[(Z)-[3-(thietan-3-yloxy)phenyl]methylideneamino]benzamide | 2 - 4-[(4-chlorophenyl)sulfanylmethyl]-N-[(Z)-[3-(thietan-3-yloxy)phenyl]methylideneamino]benzamide
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