N-benzyl-1-[(Z)-(4-chlorophenyl)methylideneamino]-5-phenylmethoxytriazole-4-carboxamide
Formula:C24H20N5O2Cl
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N-benzyl-1-[(Z)-(4-chlorophenyl)methylideneamino]-5-phenylmethoxytriazole-4-carboxamide is a drug-like molecule.
| MolName | N-benzyl-1-[(Z)-(4-chlorophenyl)methylideneamino]-5-phenylmethoxytriazole-4-carboxamide |
| MolecularFormula | C24H20N5O2Cl |
| Smiles | O=C(c(nnn1/N=C\c(cc2)ccc2Cl)c1OCc1ccccc1)NCc1ccccc1 |
| InChI | InChI=1S/C24H20ClN5O2/c25-21-13-11-19(12-14-21)16-27-30-24(32-17-20-9-5-2-6-10-20)22(28-29-30)23(31)26-15-18-7-3-1-4-8-18/h1-14,16H,15,17H2,(H,26,31) |
| InChIK | MTUWRMGFPZPNCH-UHFFFAOYSA-N |
| TotalMolweight | 445.909 |
| Molweight | 445.909 |
| MonoisotopicMass | 445.130552 |
| CLogP | 4.6665 |
| CLogS | -6.819 |
| H Acceptors | 7 |
| H Donors | 1 |
| TotalSurfaceArea | 346.17 |
| Relative PSA | 0.21614 |
| PolarSurfaceArea | 81.4 |
| Druglikeness | 0.18138 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | imine/hydrazone of aldehyde |
| Shape Index | 0.53125 |
| Fragments | 1 |
| Non HAtoms | 32 |
| NonCHAtoms | 8 |
| Electronegative Atoms | 8 |
| 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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