(5Z)-5-(1,3-benzodioxol-5-ylmethylidene)-3-[[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]methyl]-2-sulfanylideneimidazolidin-4-one
Formula:C24H24N4O5S
Mutagenic:none
Tumorigenic:none
Reproductive Effective:high
(5Z)-5-(1,3-benzodioxol-5-ylmethylidene)-3-[[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]methyl]-2-sulfanylideneimidazolidin-4-one is a drug-like molecule.
| MolName | (5Z)-5-(1,3-benzodioxol-5-ylmethylidene)-3-[[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]methyl]-2-sulfanylideneimidazolidin-4-one |
| MolecularFormula | C24H24N4O5S |
| Smiles | O=C(/C(/N1)=C/c(cc2)cc3c2OCO3)N(CN2CCN(Cc(cc3)cc4c3OCO4)CC2)C1=S |
| InChI | InChI=1S/C24H24N4O5S/c29-23-18(9-16-1-3-19-21(10-16)32-14-30-19)25-24(34)28(23)13-27-7-5-26(6-8-27)12-17-2-4-20-22(11-17)33-15-31-20/h1-4,9-11H,5-8,12-15H2,(H,25,34) |
| InChIK | DRGOZTBSCCOJJH-UHFFFAOYSA-N |
| TotalMolweight | 480.544 |
| Molweight | 480.544 |
| MonoisotopicMass | 480.146741 |
| CLogP | 2.9202 |
| CLogS | -4.724 |
| H Acceptors | 9 |
| H Donors | 1 |
| TotalSurfaceArea | 346.63 |
| Relative PSA | 0.29758 |
| PolarSurfaceArea | 107.83 |
| Druglikeness | 7.064 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | high |
| Irritant | none |
| Nasty Functions | methanediamine; thio-amide/urea |
| Shape Index | 0.58824 |
| Fragments | 1 |
| Non HAtoms | 34 |
| NonCHAtoms | 10 |
| Electronegative Atoms | 10 |
| Rotatable Bond | 5 |
| Rings Closures | 6 |
| Small Rings | 6 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 15 |
| Symmetricatoms | 2 |
| Amides | 1 |
| Amines | 1 |
| AlkylAmines | 1 |
| BasicNitrogens | 2 |
| StereoCon |
Click to Load Molecule:
1 - (5Z)-5-(1,3-benzodioxol-5-ylmethylidene)-3-[[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]methyl]-2-sulfanylideneimidazolidin-4-one | 2 - (5Z)-5-(1,3-benzodioxol-5-ylmethylidene)-3-[[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]methyl]-2-sulfanylideneimidazolidin-4-one
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