1-(benzenesulfonylmethyl)-3-[(Z)-N-(benzenesulfonylmethyl)-C-phenylcarbonimidoyl]-6-phenyl-1,3,5-triazine-2,4-dithione
Formula:C30H24N4O4S4
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
1-(benzenesulfonylmethyl)-3-[(Z)-N-(benzenesulfonylmethyl)-C-phenylcarbonimidoyl]-6-phenyl-1,3,5-triazine-2,4-dithione is not a drug-like molecule.
| MolName | 1-(benzenesulfonylmethyl)-3-[(Z)-N-(benzenesulfonylmethyl)-C-phenylcarbonimidoyl]-6-phenyl-1,3,5-triazine-2,4-dithione |
| MolecularFormula | C30H24N4O4S4 |
| Smiles | O=S(CN(C(c1ccccc1)=NC(N1/C(/c2ccccc2)=N\CS(c2ccccc2)(=O)=O)=S)C1=S)(c1ccccc1)=O |
| InChI | InChI=1S/C30H24N4O4S4/c35-41(36,25-17-9-3-10-18-25)21-31-27(23-13-5-1-6-14-23)34-29(39)32-28(24-15-7-2-8-16-24)33(30(34)40)22-42(37,38)26-19-11-4-12-20-26/h1-20H,21-22H2 |
| InChIK | FLVDNOVNIQKIJG-UHFFFAOYSA-N |
| TotalMolweight | 632.809 |
| Molweight | 632.809 |
| MonoisotopicMass | 632.068036 |
| CLogP | 4.4733 |
| CLogS | -8.21 |
| H Acceptors | 8 |
| TotalSurfaceArea | 455.68 |
| Relative PSA | 0.31443 |
| PolarSurfaceArea | 180.42 |
| Druglikeness | -6.5007 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | thio-amide/urea |
| Shape Index | 0.40476 |
| Fragments | 1 |
| Non HAtoms | 42 |
| NonCHAtoms | 12 |
| Electronegative Atoms | 12 |
| Rotatable Bond | 8 |
| Rings Closures | 5 |
| Small Rings | 5 |
| Aromatic Rings | 4 |
| Aromatic Atoms | 24 |
| Sp3Atoms | 6 |
| Symmetricatoms | 10 |
| BasicNitrogens | 2 |
| StereoCon |
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1 - 1-(benzenesulfonylmethyl)-3-[(Z)-N-(benzenesulfonylmethyl)-C-phenylcarbonimidoyl]-6-phenyl-1,3,5-triazine-2,4-dithione | 2 - 1-(benzenesulfonylmethyl)-3-[(Z)-N-(benzenesulfonylmethyl)-C-phenylcarbonimidoyl]-6-phenyl-1,3,5-triazine-2,4-dithione
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