(2Z)-4-amino-2-(3,5-dioxo-1-phenylpyrazolidin-4-ylidene)-3,6-diphenyl-6H-1,3-thiazine-5-carbonitrile
Formula:C26H19N5O2S
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(2Z)-4-amino-2-(3,5-dioxo-1-phenylpyrazolidin-4-ylidene)-3,6-diphenyl-6H-1,3-thiazine-5-carbonitrile is a drug-like molecule.
| MolName | (2Z)-4-amino-2-(3,5-dioxo-1-phenylpyrazolidin-4-ylidene)-3,6-diphenyl-6H-1,3-thiazine-5-carbonitrile |
| MolecularFormula | C26H19N5O2S |
| Smiles | NC(N(c1ccccc1)/C(/SC1c2ccccc2)=C(\C(NN2c3ccccc3)=O)/C2=O)=C1C#N |
| InChI | InChI=1S/C26H19N5O2S/c27-16-20-22(17-10-4-1-5-11-17)34-26(30(23(20)28)18-12-6-2-7-13-18)21-24(32)29-31(25(21)33)19-14-8-3-9-15-19/h1-15,22H,28H2,(H,29,32)/t22-/m0/s1 |
| InChIK | ZXEHRBVWEIZCRK-QFIPXVFZSA-N |
| TotalMolweight | 465.536 |
| Molweight | 465.536 |
| MonoisotopicMass | 465.125945 |
| CLogP | 3.4596 |
| CLogS | -6.58 |
| H Acceptors | 7 |
| H Donors | 2 |
| TotalSurfaceArea | 339.4 |
| Relative PSA | 0.268 |
| PolarSurfaceArea | 127.76 |
| Druglikeness | 1.441 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | polar activated DB; twice activated DB |
| Shape Index | 0.41176 |
| Fragments | 1 |
| Non HAtoms | 34 |
| NonCHAtoms | 8 |
| Electronegative Atoms | 8 |
| StereoCenters | 1 |
| Rotatable Bond | 3 |
| Rings Closures | 5 |
| Small Rings | 5 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 18 |
| Sp3Atoms | 2 |
| Symmetricatoms | 6 |
| BasicNitrogens | 1 |
| StereoCon | racemate |
Click to Load Molecule:
1 - (2Z)-4-amino-2-(3,5-dioxo-1-phenylpyrazolidin-4-ylidene)-3,6-diphenyl-6H-1,3-thiazine-5-carbonitrile | 2 - (2Z)-4-amino-2-(3,5-dioxo-1-phenylpyrazolidin-4-ylidene)-3,6-diphenyl-6H-1,3-thiazine-5-carbonitrile
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