N-[(Z)-(5-nitro-2-piperidin-1-ylphenyl)methylideneamino]-2-(9-oxoacridin-10-yl)acetamide
Formula:C27H25N5O4
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N-[(Z)-(5-nitro-2-piperidin-1-ylphenyl)methylideneamino]-2-(9-oxoacridin-10-yl)acetamide is a drug-like molecule.
| MolName | N-[(Z)-(5-nitro-2-piperidin-1-ylphenyl)methylideneamino]-2-(9-oxoacridin-10-yl)acetamide |
| MolecularFormula | C27H25N5O4 |
| Smiles | [O-][N+](c(cc1)cc(/C=N\NC(CN(c2c3cccc2)c(cccc2)c2C3=O)=O)c1N1CCCCC1)=O |
| InChI | InChI=1S/C27H25N5O4/c33-26(18-31-24-10-4-2-8-21(24)27(34)22-9-3-5-11-25(22)31)29-28-17-19-16-20(32(35)36)12-13-23(19)30-14-6-1-7-15-30/h2-5,8-13,16-17H,1,6-7,14-15,18H2,(H,29,33) |
| InChIK | CTGBYKAHHPGOAN-UHFFFAOYSA-N |
| TotalMolweight | 483.526 |
| Molweight | 483.526 |
| MonoisotopicMass | 483.190655 |
| CLogP | 4.2193 |
| CLogS | -8.005 |
| H Acceptors | 9 |
| H Donors | 1 |
| TotalSurfaceArea | 364.33 |
| Relative PSA | 0.23761 |
| PolarSurfaceArea | 110.83 |
| Druglikeness | -0.41444 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | aromatic nitro; acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.44444 |
| Fragments | 1 |
| Non HAtoms | 36 |
| NonCHAtoms | 9 |
| Electronegative Atoms | 9 |
| Rotatable Bond | 6 |
| Rings Closures | 5 |
| Small Rings | 5 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 18 |
| Sp3Atoms | 9 |
| Symmetricatoms | 8 |
| Amines | 2 |
| Aromatic Amines | 2 |
| AcidicOxygens | 1 |
| StereoCon |
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