N-[(Z)-[2-[(4-bromophenyl)methoxy]phenyl]methylideneamino]-2-(1,2,4-triazol-1-yl)acetamide
Formula:C18H16N5O2Br
Mutagenic:none
Tumorigenic:none
Reproductive Effective:low
N-[(Z)-[2-[(4-bromophenyl)methoxy]phenyl]methylideneamino]-2-(1,2,4-triazol-1-yl)acetamide is a drug-like molecule.
| MolName | N-[(Z)-[2-[(4-bromophenyl)methoxy]phenyl]methylideneamino]-2-(1,2,4-triazol-1-yl)acetamide |
| MolecularFormula | C18H16N5O2Br |
| Smiles | O=C(Cn1ncnc1)N/N=C\c(cccc1)c1OCc(cc1)ccc1Br |
| InChI | InChI=1S/C18H16BrN5O2/c19-16-7-5-14(6-8-16)11-26-17-4-2-1-3-15(17)9-21-23-18(25)10-24-13-20-12-22-24/h1-9,12-13H,10-11H2,(H,23,25) |
| InChIK | RPKMIIRLRLIDFK-UHFFFAOYSA-N |
| TotalMolweight | 414.262 |
| Molweight | 414.262 |
| MonoisotopicMass | 413.048736 |
| CLogP | 2.7081 |
| CLogS | -4.507 |
| H Acceptors | 7 |
| H Donors | 1 |
| TotalSurfaceArea | 289.62 |
| Relative PSA | 0.25834 |
| PolarSurfaceArea | 81.4 |
| Druglikeness | 4.3004 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | low |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.65385 |
| Fragments | 1 |
| Non HAtoms | 26 |
| NonCHAtoms | 8 |
| Electronegative Atoms | 8 |
| Rotatable Bond | 7 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 17 |
| Sp3Atoms | 3 |
| Symmetricatoms | 2 |
| Aromatic Nitrogens | 3 |
| StereoCon |
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1 - N-[(Z)-[2-[(4-bromophenyl)methoxy]phenyl]methylideneamino]-2-(1,2,4-triazol-1-yl)acetamide | 2 - N-[(Z)-[2-[(4-bromophenyl)methoxy]phenyl]methylideneamino]-2-(1,2,4-triazol-1-yl)acetamide
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