2-morpholin-4-ium-4-yl-N-[(Z)-(1,2,5-triphenylpyrrol-3-yl)methylideneamino]acetamide
Formula:C29H29N4O2
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
2-morpholin-4-ium-4-yl-N-[(Z)-(1,2,5-triphenylpyrrol-3-yl)methylideneamino]acetamide is a drug-like molecule.
| MolName | 2-morpholin-4-ium-4-yl-N-[(Z)-(1,2,5-triphenylpyrrol-3-yl)methylideneamino]acetamide |
| MolecularFormula | C29H29N4O2 |
| Smiles | O=C(C[NH+]1CCOCC1)N/N=C\c(cc1-c2ccccc2)c(-c2ccccc2)n1-c1ccccc1 |
| InChI | InChI=1S/C29H28N4O2/c34-28(22-32-16-18-35-19-17-32)31-30-21-25-20-27(23-10-4-1-5-11-23)33(26-14-8-3-9-15-26)29(25)24-12-6-2-7-13-24/h1-15,20-21H,16-19,22H2,(H,31,34)/p+1 |
| InChIK | MKJACUDOJNEKBV-UHFFFAOYSA-O |
| TotalMolweight | 465.575 |
| Molweight | 465.575 |
| MonoisotopicMass | 465.229051 |
| CLogP | 2.5959 |
| CLogS | -7.61 |
| H Acceptors | 6 |
| H Donors | 2 |
| TotalSurfaceArea | 385.35 |
| Relative PSA | 0.18287 |
| PolarSurfaceArea | 60.06 |
| Druglikeness | 3.3715 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.45714 |
| Fragments | 1 |
| Non HAtoms | 35 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| Rotatable Bond | 7 |
| Rings Closures | 5 |
| Small Rings | 5 |
| Aromatic Rings | 4 |
| Aromatic Atoms | 23 |
| Sp3Atoms | 7 |
| Symmetricatoms | 8 |
| Amines | 1 |
| AlkylAmines | 1 |
| Aromatic Nitrogens | 1 |
| BasicNitrogens | 1 |
| StereoCon |
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1 - 2-morpholin-4-ium-4-yl-N-[(Z)-(1,2,5-triphenylpyrrol-3-yl)methylideneamino]acetamide | 2 - 2-morpholin-4-ium-4-yl-N-[(Z)-(1,2,5-triphenylpyrrol-3-yl)methylideneamino]acetamide
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