N-[(Z)-[2-[(3-bromophenyl)methoxy]phenyl]methylideneamino]-2-[(4,5-diphenyl-1,2,4-triazol-3-yl)sulfanyl]acetamide
Formula:C30H24N5O2BrS
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N-[(Z)-[2-[(3-bromophenyl)methoxy]phenyl]methylideneamino]-2-[(4,5-diphenyl-1,2,4-triazol-3-yl)sulfanyl]acetamide is not a drug-like molecule.
| MolName | N-[(Z)-[2-[(3-bromophenyl)methoxy]phenyl]methylideneamino]-2-[(4,5-diphenyl-1,2,4-triazol-3-yl)sulfanyl]acetamide |
| MolecularFormula | C30H24N5O2BrS |
| Smiles | O=C(CSc1nnc(-c2ccccc2)n1-c1ccccc1)N/N=C\c(cccc1)c1OCc1cccc(Br)c1 |
| InChI | InChI=1S/C30H24BrN5O2S/c31-25-14-9-10-22(18-25)20-38-27-17-8-7-13-24(27)19-32-33-28(37)21-39-30-35-34-29(23-11-3-1-4-12-23)36(30)26-15-5-2-6-16-26/h1-19H,20-21H2,(H,33,37) |
| InChIK | XUASWQCVGGQKGO-UHFFFAOYSA-N |
| TotalMolweight | 598.524 |
| Molweight | 598.524 |
| MonoisotopicMass | 597.083406 |
| CLogP | 6.6051 |
| CLogS | -10.591 |
| H Acceptors | 7 |
| H Donors | 1 |
| TotalSurfaceArea | 426.63 |
| Relative PSA | 0.21637 |
| PolarSurfaceArea | 106.7 |
| Druglikeness | 3.3247 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.53846 |
| Fragments | 1 |
| Non HAtoms | 39 |
| NonCHAtoms | 9 |
| Electronegative Atoms | 9 |
| Rotatable Bond | 10 |
| Rings Closures | 5 |
| Small Rings | 5 |
| Aromatic Rings | 5 |
| Aromatic Atoms | 29 |
| Sp3Atoms | 4 |
| Symmetricatoms | 4 |
| Aromatic Nitrogens | 3 |
| StereoCon |
Click to Load Molecule:
1 - N-[(Z)-[2-[(3-bromophenyl)methoxy]phenyl]methylideneamino]-2-[(4,5-diphenyl-1,2,4-triazol-3-yl)sulfanyl]acetamide | 2 - N-[(Z)-[2-[(3-bromophenyl)methoxy]phenyl]methylideneamino]-2-[(4,5-diphenyl-1,2,4-triazol-3-yl)sulfanyl]acetamide
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