2-[5-(2-chlorophenyl)tetrazol-2-yl]-N-[(Z)-[5-nitro-2,4-di(piperidin-1-yl)phenyl]methylideneamino]acetamide
Formula:C26H30N9O3Cl
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
2-[5-(2-chlorophenyl)tetrazol-2-yl]-N-[(Z)-[5-nitro-2,4-di(piperidin-1-yl)phenyl]methylideneamino]acetamide is not a drug-like molecule.
| MolName | 2-[5-(2-chlorophenyl)tetrazol-2-yl]-N-[(Z)-[5-nitro-2,4-di(piperidin-1-yl)phenyl]methylideneamino]acetamide |
| MolecularFormula | C26H30N9O3Cl |
| Smiles | [O-][N+](c(c(N1CCCCC1)c1)cc(/C=N\NC(Cn2nnc(-c(cccc3)c3Cl)n2)=O)c1N1CCCCC1)=O |
| InChI | InChI=1S/C26H30ClN9O3/c27-21-10-4-3-9-20(21)26-30-32-35(31-26)18-25(37)29-28-17-19-15-24(36(38)39)23(34-13-7-2-8-14-34)16-22(19)33-11-5-1-6-12-33/h3-4,9-10,15-17H,1-2,5-8,11-14,18H2,(H,29,37) |
| InChIK | AYDPELOSICFLNG-UHFFFAOYSA-N |
| TotalMolweight | 552.037 |
| Molweight | 552.037 |
| MonoisotopicMass | 551.216013 |
| CLogP | 3.8633 |
| CLogS | -6.969 |
| H Acceptors | 12 |
| H Donors | 1 |
| TotalSurfaceArea | 416.28 |
| Relative PSA | 0.2722 |
| PolarSurfaceArea | 137.36 |
| Druglikeness | -4.5225 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | aromatic nitro; acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.51282 |
| Fragments | 1 |
| Non HAtoms | 39 |
| NonCHAtoms | 13 |
| Electronegative Atoms | 13 |
| Rotatable Bond | 8 |
| Rings Closures | 5 |
| Small Rings | 5 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 17 |
| Sp3Atoms | 14 |
| Symmetricatoms | 4 |
| Amines | 2 |
| Aromatic Amines | 2 |
| Aromatic Nitrogens | 4 |
| AcidicOxygens | 1 |
| StereoCon |
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1 - 2-[5-(2-chlorophenyl)tetrazol-2-yl]-N-[(Z)-[5-nitro-2,4-di(piperidin-1-yl)phenyl]methylideneamino]acetamide | 2 - 2-[5-(2-chlorophenyl)tetrazol-2-yl]-N-[(Z)-[5-nitro-2,4-di(piperidin-1-yl)phenyl]methylideneamino]acetamide
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