N-[(Z)-anthracen-9-ylmethylideneamino]-2-(1-benzylbenzimidazol-2-yl)sulfanylacetamide
Formula:C31H24N4OS
Mutagenic:high
Tumorigenic:high
Reproductive Effective:none
N-[(Z)-anthracen-9-ylmethylideneamino]-2-(1-benzylbenzimidazol-2-yl)sulfanylacetamide is not a drug-like molecule.
| MolName | N-[(Z)-anthracen-9-ylmethylideneamino]-2-(1-benzylbenzimidazol-2-yl)sulfanylacetamide |
| MolecularFormula | C31H24N4OS |
| Smiles | O=C(CSc1nc(cccc2)c2n1Cc1ccccc1)N/N=C\c1c(cccc2)c2cc2ccccc12 |
| InChI | InChI=1S/C31H24N4OS/c36-30(34-32-19-27-25-14-6-4-12-23(25)18-24-13-5-7-15-26(24)27)21-37-31-33-28-16-8-9-17-29(28)35(31)20-22-10-2-1-3-11-22/h1-19H,20-21H2,(H,34,36) |
| InChIK | VLOSAICRBONSRT-UHFFFAOYSA-N |
| TotalMolweight | 500.625 |
| Molweight | 500.625 |
| MonoisotopicMass | 500.167081 |
| CLogP | 7.1352 |
| CLogS | -7.908 |
| H Acceptors | 5 |
| H Donors | 1 |
| TotalSurfaceArea | 383.52 |
| Relative PSA | 0.18601 |
| PolarSurfaceArea | 84.58 |
| Druglikeness | 6.2564 |
| Mutagenic | high |
| Tumorigenic | high |
| Reproductive Effective | none |
| Irritant | high |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.48649 |
| Fragments | 1 |
| Non HAtoms | 37 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| Rotatable Bond | 7 |
| Rings Closures | 6 |
| Small Rings | 6 |
| Aromatic Rings | 6 |
| Aromatic Atoms | 29 |
| Sp3Atoms | 3 |
| Symmetricatoms | 8 |
| Aromatic Nitrogens | 2 |
| BasicNitrogens | 1 |
| StereoCon |
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