(4-chlorophenyl)-[8-[(E)-2-phenylethenyl]sulfonyl-1-thia-4,8-diazaspiro[4.5]decan-4-yl]methanone
Formula:C22H23N2O3ClS2
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(4-chlorophenyl)-[8-[(E)-2-phenylethenyl]sulfonyl-1-thia-4,8-diazaspiro[4.5]decan-4-yl]methanone is a drug-like molecule.
| MolName | (4-chlorophenyl)-[8-[(E)-2-phenylethenyl]sulfonyl-1-thia-4,8-diazaspiro[4.5]decan-4-yl]methanone |
| MolecularFormula | C22H23N2O3ClS2 |
| Smiles | O=C(c(cc1)ccc1Cl)N1C(CC2)(CCN2S(/C=C/c2ccccc2)(=O)=O)SCC1 |
| InChI | InChI=1S/C22H23ClN2O3S2/c23-20-8-6-19(7-9-20)21(26)25-15-16-29-22(25)11-13-24(14-12-22)30(27,28)17-10-18-4-2-1-3-5-18/h1-10,17H,11-16H2 |
| InChIK | CAVLJOWPEOQZMZ-UHFFFAOYSA-N |
| TotalMolweight | 463.021 |
| Molweight | 463.021 |
| MonoisotopicMass | 462.08386 |
| CLogP | 4.7949 |
| CLogS | -5.865 |
| H Acceptors | 5 |
| TotalSurfaceArea | 325.33 |
| Relative PSA | 0.20352 |
| PolarSurfaceArea | 91.37 |
| Druglikeness | 6.5125 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.6 |
| Fragments | 1 |
| Non HAtoms | 30 |
| NonCHAtoms | 8 |
| Electronegative Atoms | 8 |
| Rotatable Bond | 3 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 9 |
| Symmetricatoms | 7 |
| Amides | 2 |
| StereoCon |
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1 - (4-chlorophenyl)-[8-[(E)-2-phenylethenyl]sulfonyl-1-thia-4,8-diazaspiro[4.5]decan-4-yl]methanone | 2 - (4-chlorophenyl)-[8-[(E)-2-phenylethenyl]sulfonyl-1-thia-4,8-diazaspiro[4.5]decan-4-yl]methanone
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