N-benzyl-1-[(Z)-benzylideneamino]-5-phenylmethoxytriazole-4-carboxamide
Formula:C24H21N5O2
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N-benzyl-1-[(Z)-benzylideneamino]-5-phenylmethoxytriazole-4-carboxamide is a drug-like molecule.
| MolName | N-benzyl-1-[(Z)-benzylideneamino]-5-phenylmethoxytriazole-4-carboxamide |
| MolecularFormula | C24H21N5O2 |
| Smiles | O=C(c(nnn1/N=C\c2ccccc2)c1OCc1ccccc1)NCc1ccccc1 |
| InChI | InChI=1S/C24H21N5O2/c30-23(25-16-19-10-4-1-5-11-19)22-24(31-18-21-14-8-3-9-15-21)29(28-27-22)26-17-20-12-6-2-7-13-20/h1-15,17H,16,18H2,(H,25,30) |
| InChIK | HIANRUMRKOAQRB-UHFFFAOYSA-N |
| TotalMolweight | 411.464 |
| Molweight | 411.464 |
| MonoisotopicMass | 411.169525 |
| CLogP | 4.0605 |
| CLogS | -6.083 |
| H Acceptors | 7 |
| H Donors | 1 |
| TotalSurfaceArea | 330.75 |
| Relative PSA | 0.22621 |
| PolarSurfaceArea | 81.4 |
| Druglikeness | 0.13592 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | imine/hydrazone of aldehyde |
| Shape Index | 0.51613 |
| Fragments | 1 |
| Non HAtoms | 31 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| Rotatable Bond | 8 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 4 |
| Aromatic Atoms | 23 |
| Sp3Atoms | 3 |
| Symmetricatoms | 6 |
| Amides | 1 |
| Aromatic Nitrogens | 3 |
| StereoCon |
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