(1Z)-N-anilino-2-[(2Z)-2-[[4-(1,1-dioxothiazinan-2-yl)phenyl]-phenylmethylidene]hydrazinyl]-2-oxoethanimidoyl cyanide
Formula:C26H24N6O3S
Mutagenic:high
Tumorigenic:high
Reproductive Effective:none
(1Z)-N-anilino-2-[(2Z)-2-[[4-(1,1-dioxothiazinan-2-yl)phenyl]-phenylmethylidene]hydrazinyl]-2-oxoethanimidoyl cyanide is not a drug-like molecule.
| MolName | (1Z)-N-anilino-2-[(2Z)-2-[[4-(1,1-dioxothiazinan-2-yl)phenyl]-phenylmethylidene]hydrazinyl]-2-oxoethanimidoyl cyanide |
| MolecularFormula | C26H24N6O3S |
| Smiles | N#C/C(/C(N/N=C(/c1ccccc1)\c(cc1)ccc1N(CCCC1)S1(=O)=O)=O)=N/Nc1ccccc1 |
| InChI | InChI=1S/C26H24N6O3S/c27-19-24(29-28-22-11-5-2-6-12-22)26(33)31-30-25(20-9-3-1-4-10-20)21-13-15-23(16-14-21)32-17-7-8-18-36(32,34)35/h1-6,9-16,28H,7-8,17-18H2,(H,31,33) |
| InChIK | DCBKXOBZVHUKFK-UHFFFAOYSA-N |
| TotalMolweight | 500.582 |
| Molweight | 500.582 |
| MonoisotopicMass | 500.163059 |
| CLogP | 4.0145 |
| CLogS | -7.421 |
| H Acceptors | 9 |
| H Donors | 2 |
| TotalSurfaceArea | 381.52 |
| Relative PSA | 0.27435 |
| PolarSurfaceArea | 135.4 |
| Druglikeness | -2.4399 |
| Mutagenic | high |
| Tumorigenic | high |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone |
| Shape Index | 0.52778 |
| Fragments | 1 |
| Non HAtoms | 36 |
| NonCHAtoms | 10 |
| Electronegative Atoms | 10 |
| Rotatable Bond | 7 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 18 |
| Sp3Atoms | 5 |
| Symmetricatoms | 7 |
| Amides | 1 |
| StereoCon |
Click to Load Molecule:
1 - (1Z)-N-anilino-2-[(2Z)-2-[[4-(1,1-dioxothiazinan-2-yl)phenyl]-phenylmethylidene]hydrazinyl]-2-oxoethanimidoyl cyanide | 2 - (1Z)-N-anilino-2-[(2Z)-2-[[4-(1,1-dioxothiazinan-2-yl)phenyl]-phenylmethylidene]hydrazinyl]-2-oxoethanimidoyl cyanide
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