N-[(Z)-[2-(azepan-1-yl)-5-nitrophenyl]methylideneamino]-2-(9-oxoacridin-10-yl)acetamide
Formula:C28H27N5O4
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N-[(Z)-[2-(azepan-1-yl)-5-nitrophenyl]methylideneamino]-2-(9-oxoacridin-10-yl)acetamide is a drug-like molecule.
| MolName | N-[(Z)-[2-(azepan-1-yl)-5-nitrophenyl]methylideneamino]-2-(9-oxoacridin-10-yl)acetamide |
| MolecularFormula | C28H27N5O4 |
| Smiles | [O-][N+](c(cc1)cc(/C=N\NC(CN(c2c3cccc2)c(cccc2)c2C3=O)=O)c1N1CCCCCC1)=O |
| InChI | InChI=1S/C28H27N5O4/c34-27(19-32-25-11-5-3-9-22(25)28(35)23-10-4-6-12-26(23)32)30-29-18-20-17-21(33(36)37)13-14-24(20)31-15-7-1-2-8-16-31/h3-6,9-14,17-18H,1-2,7-8,15-16,19H2,(H,30,34) |
| InChIK | RYRMQOBLCPDLEU-UHFFFAOYSA-N |
| TotalMolweight | 497.553 |
| Molweight | 497.553 |
| MonoisotopicMass | 497.206305 |
| CLogP | 4.5613 |
| CLogS | -8.275 |
| H Acceptors | 9 |
| H Donors | 1 |
| TotalSurfaceArea | 378.09 |
| Relative PSA | 0.22897 |
| PolarSurfaceArea | 110.83 |
| Druglikeness | -2.9099 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | aromatic nitro; acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.43243 |
| Fragments | 1 |
| Non HAtoms | 37 |
| NonCHAtoms | 9 |
| Electronegative Atoms | 9 |
| Rotatable Bond | 6 |
| Rings Closures | 5 |
| Small Rings | 5 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 18 |
| Sp3Atoms | 10 |
| Symmetricatoms | 9 |
| Amines | 2 |
| Aromatic Amines | 2 |
| AcidicOxygens | 1 |
| StereoCon |
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1 - N-[(Z)-[2-(azepan-1-yl)-5-nitrophenyl]methylideneamino]-2-(9-oxoacridin-10-yl)acetamide | 2 - N-[(Z)-[2-(azepan-1-yl)-5-nitrophenyl]methylideneamino]-2-(9-oxoacridin-10-yl)acetamide
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