2-(5-aminotetrazol-1-yl)-N-[(Z)-(2,4-dimorpholin-4-yl-5-nitrophenyl)methylideneamino]acetamide
Formula:C18H24N10O5
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
2-(5-aminotetrazol-1-yl)-N-[(Z)-(2,4-dimorpholin-4-yl-5-nitrophenyl)methylideneamino]acetamide is not a drug-like molecule.
| MolName | 2-(5-aminotetrazol-1-yl)-N-[(Z)-(2,4-dimorpholin-4-yl-5-nitrophenyl)methylideneamino]acetamide |
| MolecularFormula | C18H24N10O5 |
| Smiles | Nc1nnnn1CC(N/N=C\c(c(N1CCOCC1)c1)cc([N+]([O-])=O)c1N1CCOCC1)=O |
| InChI | InChI=1S/C18H24N10O5/c19-18-22-23-24-27(18)12-17(29)21-20-11-13-9-16(28(30)31)15(26-3-7-33-8-4-26)10-14(13)25-1-5-32-6-2-25/h9-11H,1-8,12H2,(H,21,29)(H2,19,22,24) |
| InChIK | ALVLEMVELOWXQU-UHFFFAOYSA-N |
| TotalMolweight | 460.454 |
| Molweight | 460.454 |
| MonoisotopicMass | 460.193115 |
| CLogP | -1.4031 |
| CLogS | -3.532 |
| H Acceptors | 15 |
| H Donors | 2 |
| TotalSurfaceArea | 342.1 |
| Relative PSA | 0.43432 |
| PolarSurfaceArea | 181.84 |
| Druglikeness | -1.1545 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | aromatic nitro; acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.48485 |
| Fragments | 1 |
| Non HAtoms | 33 |
| NonCHAtoms | 15 |
| Electronegative Atoms | 15 |
| Rotatable Bond | 7 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 11 |
| Sp3Atoms | 14 |
| Symmetricatoms | 4 |
| Amines | 2 |
| Aromatic Amines | 2 |
| Aromatic Nitrogens | 4 |
| AcidicOxygens | 1 |
| StereoCon |
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1 - 2-(5-aminotetrazol-1-yl)-N-[(Z)-(2,4-dimorpholin-4-yl-5-nitrophenyl)methylideneamino]acetamide | 2 - 2-(5-aminotetrazol-1-yl)-N-[(Z)-(2,4-dimorpholin-4-yl-5-nitrophenyl)methylideneamino]acetamide
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