(8E)-7-amino-4-oxo-3-thiophen-3-yl-8-(thiophen-3-ylmethylidene)pyrrolo[2,1-c][1,4]thiazine-1,6-dicarbonitrile
Formula:C18H10N4OS3
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(8E)-7-amino-4-oxo-3-thiophen-3-yl-8-(thiophen-3-ylmethylidene)pyrrolo[2,1-c][1,4]thiazine-1,6-dicarbonitrile is a drug-like molecule.
| MolName | (8E)-7-amino-4-oxo-3-thiophen-3-yl-8-(thiophen-3-ylmethylidene)pyrrolo[2,1-c][1,4]thiazine-1,6-dicarbonitrile |
| MolecularFormula | C18H10N4OS3 |
| Smiles | NC(/C(/C1=C(C#N)SC2c3cscc3)=C\c3cscc3)=C(C#N)N1C2=O |
| InChI | InChI=1S/C18H10N4OS3/c19-6-13-15(21)12(5-10-1-3-24-8-10)16-14(7-20)26-17(18(23)22(13)16)11-2-4-25-9-11/h1-5,8-9,17H,21H2/t17-/m0/s1 |
| InChIK | YTMFXFLJYSUIMC-KRWDZBQOSA-N |
| TotalMolweight | 394.502 |
| Molweight | 394.502 |
| MonoisotopicMass | 394.001671 |
| CLogP | 2.7827 |
| CLogS | -5.071 |
| H Acceptors | 5 |
| H Donors | 1 |
| TotalSurfaceArea | 278.43 |
| Relative PSA | 0.4209 |
| PolarSurfaceArea | 175.69 |
| Druglikeness | 0.08008 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.46154 |
| Fragments | 1 |
| Non HAtoms | 26 |
| NonCHAtoms | 8 |
| Electronegative Atoms | 8 |
| StereoCenters | 1 |
| Rotatable Bond | 2 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 10 |
| Sp3Atoms | 2 |
| Amides | 1 |
| BasicNitrogens | 1 |
| StereoCon | racemate |
Click to Load Molecule:
1 - (8E)-7-amino-4-oxo-3-thiophen-3-yl-8-(thiophen-3-ylmethylidene)pyrrolo[2,1-c][1,4]thiazine-1,6-dicarbonitrile | 2 - (8E)-7-amino-4-oxo-3-thiophen-3-yl-8-(thiophen-3-ylmethylidene)pyrrolo[2,1-c][1,4]thiazine-1,6-dicarbonitrile
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