N-[(Z)-anthracen-9-ylmethylideneamino]-2-[5-(phenylcarbamoylamino)-1,3,4-thiadiazol-2-yl]acetamide
Formula:C26H20N6O2S
Mutagenic:high
Tumorigenic:high
Reproductive Effective:none
N-[(Z)-anthracen-9-ylmethylideneamino]-2-[5-(phenylcarbamoylamino)-1,3,4-thiadiazol-2-yl]acetamide is not a drug-like molecule.
| MolName | N-[(Z)-anthracen-9-ylmethylideneamino]-2-[5-(phenylcarbamoylamino)-1,3,4-thiadiazol-2-yl]acetamide |
| MolecularFormula | C26H20N6O2S |
| Smiles | O=C(Cc1nnc(NC(Nc2ccccc2)=O)s1)N/N=C\c1c(cccc2)c2cc2ccccc12 |
| InChI | InChI=1S/C26H20N6O2S/c33-23(15-24-31-32-26(35-24)29-25(34)28-19-10-2-1-3-11-19)30-27-16-22-20-12-6-4-8-17(20)14-18-9-5-7-13-21(18)22/h1-14,16H,15H2,(H,30,33)(H2,28,29,32,34) |
| InChIK | OBHYVWNBELDMGV-UHFFFAOYSA-N |
| TotalMolweight | 480.551 |
| Molweight | 480.551 |
| MonoisotopicMass | 480.136844 |
| CLogP | 5.5729 |
| CLogS | -8.133 |
| H Acceptors | 8 |
| H Donors | 3 |
| TotalSurfaceArea | 363.84 |
| Relative PSA | 0.31407 |
| PolarSurfaceArea | 136.61 |
| Druglikeness | 6.4542 |
| Mutagenic | high |
| Tumorigenic | high |
| Reproductive Effective | none |
| Irritant | high |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.57143 |
| Fragments | 1 |
| Non HAtoms | 35 |
| NonCHAtoms | 9 |
| Electronegative Atoms | 9 |
| Rotatable Bond | 6 |
| Rings Closures | 5 |
| Small Rings | 5 |
| Aromatic Rings | 5 |
| Aromatic Atoms | 25 |
| Sp3Atoms | 1 |
| Symmetricatoms | 8 |
| Amides | 2 |
| Aromatic Nitrogens | 2 |
| StereoCon |
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1 - N-[(Z)-anthracen-9-ylmethylideneamino]-2-[5-(phenylcarbamoylamino)-1,3,4-thiadiazol-2-yl]acetamide | 2 - N-[(Z)-anthracen-9-ylmethylideneamino]-2-[5-(phenylcarbamoylamino)-1,3,4-thiadiazol-2-yl]acetamide
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