[4-[(Z)-[(4-morpholin-4-ylsulfonylphenyl)carbamothioylhydrazinylidene]methyl]phenyl] pyridine-3-carboxylate
Formula:C24H23N5O5S2
Mutagenic:high
Tumorigenic:none
Reproductive Effective:high
[4-[(Z)-[(4-morpholin-4-ylsulfonylphenyl)carbamothioylhydrazinylidene]methyl]phenyl] pyridine-3-carboxylate is not a drug-like molecule.
| MolName | [4-[(Z)-[(4-morpholin-4-ylsulfonylphenyl)carbamothioylhydrazinylidene]methyl]phenyl] pyridine-3-carboxylate |
| MolecularFormula | C24H23N5O5S2 |
| Smiles | O=C(c1cnccc1)Oc1ccc(/C=N\NC(Nc(cc2)ccc2S(N2CCOCC2)(=O)=O)=S)cc1 |
| InChI | InChI=1S/C24H23N5O5S2/c30-23(19-2-1-11-25-17-19)34-21-7-3-18(4-8-21)16-26-28-24(35)27-20-5-9-22(10-6-20)36(31,32)29-12-14-33-15-13-29/h1-11,16-17H,12-15H2,(H2,27,28,35) |
| InChIK | DUAWMIUCRJWLPN-UHFFFAOYSA-N |
| TotalMolweight | 525.609 |
| Molweight | 525.609 |
| MonoisotopicMass | 525.11406 |
| CLogP | 3.0646 |
| CLogS | -4.202 |
| H Acceptors | 10 |
| H Donors | 2 |
| TotalSurfaceArea | 390.1 |
| Relative PSA | 0.35522 |
| PolarSurfaceArea | 162.69 |
| Druglikeness | 6.5769 |
| Mutagenic | high |
| Tumorigenic | none |
| Reproductive Effective | high |
| Irritant | none |
| Nasty Functions | imine/hydrazone of aldehyde; thio-amide/urea |
| Shape Index | 0.66667 |
| Fragments | 1 |
| Non HAtoms | 36 |
| NonCHAtoms | 12 |
| Electronegative Atoms | 12 |
| Rotatable Bond | 7 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 18 |
| Sp3Atoms | 8 |
| Symmetricatoms | 7 |
| Amides | 1 |
| Aromatic Nitrogens | 1 |
| StereoCon |
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