N-(1,1-dioxothiolan-3-yl)-2-[(4,5-diphenyl-1H-imidazol-2-yl)sulfanyl]acetamide
Formula:C21H21N3O3S2
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N-(1,1-dioxothiolan-3-yl)-2-[(4,5-diphenyl-1H-imidazol-2-yl)sulfanyl]acetamide is a drug-like molecule.
| MolName | N-(1,1-dioxothiolan-3-yl)-2-[(4,5-diphenyl-1H-imidazol-2-yl)sulfanyl]acetamide |
| MolecularFormula | C21H21N3O3S2 |
| Smiles | O=C(CSc1nc(-c2ccccc2)c(-c2ccccc2)[nH]1)NC(CC1)CS1(=O)=O |
| InChI | InChI=1S/C21H21N3O3S2/c25-18(22-17-11-12-29(26,27)14-17)13-28-21-23-19(15-7-3-1-4-8-15)20(24-21)16-9-5-2-6-10-16/h1-10,17H,11-14H2,(H,22,25)(H,23,24)/t17-/m1/s1 |
| InChIK | LMNQNIOXWFRBEJ-QGZVFWFLSA-N |
| TotalMolweight | 427.548 |
| Molweight | 427.548 |
| MonoisotopicMass | 427.102432 |
| CLogP | 2.5776 |
| CLogS | -4.847 |
| H Acceptors | 6 |
| H Donors | 2 |
| TotalSurfaceArea | 310.43 |
| Relative PSA | 0.30773 |
| PolarSurfaceArea | 125.6 |
| Druglikeness | 0.74148 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.51724 |
| Fragments | 1 |
| Non HAtoms | 29 |
| NonCHAtoms | 8 |
| Electronegative Atoms | 8 |
| StereoCenters | 1 |
| Rotatable Bond | 6 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 17 |
| Sp3Atoms | 7 |
| Symmetricatoms | 5 |
| Amides | 1 |
| Aromatic Nitrogens | 2 |
| BasicNitrogens | 1 |
| StereoCon | racemate |
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1 - N-(1,1-dioxothiolan-3-yl)-2-[(4,5-diphenyl-1H-imidazol-2-yl)sulfanyl]acetamide | 2 - N-(1,1-dioxothiolan-3-yl)-2-[(4,5-diphenyl-1H-imidazol-2-yl)sulfanyl]acetamide
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