N-[(Z)-(4-bromophenyl)methylideneamino]-2-[[5-(4-bromophenyl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]acetamide
Formula:C23H17N5OBr2S
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N-[(Z)-(4-bromophenyl)methylideneamino]-2-[[5-(4-bromophenyl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]acetamide is not a drug-like molecule.
| MolName | N-[(Z)-(4-bromophenyl)methylideneamino]-2-[[5-(4-bromophenyl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]acetamide |
| MolecularFormula | C23H17N5OBr2S |
| Smiles | O=C(CSc1nnc(-c(cc2)ccc2Br)n1-c1ccccc1)N/N=C\c(cc1)ccc1Br |
| InChI | InChI=1S/C23H17Br2N5OS/c24-18-10-6-16(7-11-18)14-26-27-21(31)15-32-23-29-28-22(17-8-12-19(25)13-9-17)30(23)20-4-2-1-3-5-20/h1-14H,15H2,(H,27,31) |
| InChIK | KXZFCYAPCKPJPS-UHFFFAOYSA-N |
| TotalMolweight | 571.296 |
| Molweight | 571.296 |
| MonoisotopicMass | 568.952052 |
| CLogP | 5.9822 |
| CLogS | -10.084 |
| H Acceptors | 6 |
| H Donors | 1 |
| TotalSurfaceArea | 361.74 |
| Relative PSA | 0.22754 |
| PolarSurfaceArea | 97.47 |
| Druglikeness | 3.6355 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.59375 |
| Fragments | 1 |
| Non HAtoms | 32 |
| NonCHAtoms | 9 |
| Electronegative Atoms | 9 |
| Rotatable Bond | 7 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 4 |
| Aromatic Atoms | 23 |
| Sp3Atoms | 2 |
| Symmetricatoms | 6 |
| Aromatic Nitrogens | 3 |
| StereoCon |
Click to Load Molecule:
1 - N-[(Z)-(4-bromophenyl)methylideneamino]-2-[[5-(4-bromophenyl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]acetamide | 2 - N-[(Z)-(4-bromophenyl)methylideneamino]-2-[[5-(4-bromophenyl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]acetamide
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