(2E)-2-benzylidene-5,6,7,8-tetrahydroimidazo[2,1-b][1,3]thiazepin-3-one
Formula:C14H14N2OS
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(2E)-2-benzylidene-5,6,7,8-tetrahydroimidazo[2,1-b][1,3]thiazepin-3-one is a drug-like molecule.
| MolName | (2E)-2-benzylidene-5,6,7,8-tetrahydroimidazo[2,1-b][1,3]thiazepin-3-one |
| MolecularFormula | C14H14N2OS |
| Smiles | O=C1N(CCCCS2)C2=N/C1=C/c1ccccc1 |
| InChI | InChI=1S/C14H14N2OS/c17-13-12(10-11-6-2-1-3-7-11)15-14-16(13)8-4-5-9-18-14/h1-3,6-7,10H,4-5,8-9H2 |
| InChIK | WGVAUFZYVMHVDZ-UHFFFAOYSA-N |
| TotalMolweight | 258.344 |
| Molweight | 258.344 |
| MonoisotopicMass | 258.082683 |
| CLogP | 2.2776 |
| CLogS | -3.677 |
| H Acceptors | 3 |
| TotalSurfaceArea | 194.52 |
| Relative PSA | 0.23437 |
| PolarSurfaceArea | 57.97 |
| Druglikeness | 3.6667 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.61111 |
| Fragments | 1 |
| Non HAtoms | 18 |
| NonCHAtoms | 4 |
| Electronegative Atoms | 4 |
| Rotatable Bond | 1 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 1 |
| Aromatic Atoms | 6 |
| Sp3Atoms | 5 |
| Symmetricatoms | 2 |
| Amides | 1 |
| StereoCon |
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1 - (2E)-2-benzylidene-5,6,7,8-tetrahydroimidazo[2,1-b][1,3]thiazepin-3-one | 2 - (2E)-2-benzylidene-5,6,7,8-tetrahydroimidazo[2,1-b][1,3]thiazepin-3-one
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