| MolName | N'-[(Z)-[2-[(4-bromophenyl)methoxy]phenyl]methylideneamino]-N-(5-phenyl-1,3,4-thiadiazol-2-yl)oxamide |
| MolecularFormula | C24H18N5O3BrS |
| Smiles | O=C(C(N/N=C\c(cccc1)c1OCc(cc1)ccc1Br)=O)Nc1nnc(-c2ccccc2)s1 |
| InChI | InChI=1S/C24H18BrN5O3S/c25-19-12-10-16(11-13-19)15-33-20-9-5-4-8-18(20)14-26-28-22(32)21(31)27-24-30-29-23(34-24)17-6-2-1-3-7-17/h1-14H,15H2,(H,28,32)(H,27,30,31) |
| InChIK | HGEBMPJBVJXFTD-UHFFFAOYSA-N |
| TotalMolweight | 536.409 |
| Molweight | 536.409 |
| MonoisotopicMass | 535.031371 |
| CLogP | 4.8852 |
| CLogS | -6.204 |
| H Acceptors | 8 |
| H Donors | 2 |
| TotalSurfaceArea | 371.57 |
| Relative PSA | 0.3036 |
| PolarSurfaceArea | 133.81 |
| Druglikeness | 3.043 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde; limit! oxal-diamide |
| Shape Index | 0.64706 |
| Fragments | 1 |
| Non HAtoms | 34 |
| NonCHAtoms | 10 |
| Electronegative Atoms | 10 |
| Rotatable Bond | 8 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 4 |
| Aromatic Atoms | 23 |
| Sp3Atoms | 2 |
| Symmetricatoms | 4 |
| Amides | 1 |
| Aromatic Nitrogens | 2 |
| StereoCon |
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1 - N'-[(Z)-[2-[(4-bromophenyl)methoxy]phenyl]methylideneamino]-N-(5-phenyl-1,3,4-thiadiazol-2-yl)oxamide | 2 - N'-[(Z)-[2-[(4-bromophenyl)methoxy]phenyl]methylideneamino]-N-(5-phenyl-1,3,4-thiadiazol-2-yl)oxamide