N-[(Z)-[4-(1,3-benzothiazol-2-ylsulfanyl)-3-nitrophenyl]methylideneamino]-2-(9-oxoacridin-10-yl)acetamide
Formula:C29H19N5O4S2
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N-[(Z)-[4-(1,3-benzothiazol-2-ylsulfanyl)-3-nitrophenyl]methylideneamino]-2-(9-oxoacridin-10-yl)acetamide is not a drug-like molecule.
| MolName | N-[(Z)-[4-(1,3-benzothiazol-2-ylsulfanyl)-3-nitrophenyl]methylideneamino]-2-(9-oxoacridin-10-yl)acetamide |
| MolecularFormula | C29H19N5O4S2 |
| Smiles | [O-][N+](c(cc(/C=N\NC(CN(c1c2cccc1)c(cccc1)c1C2=O)=O)cc1)c1Sc1nc(cccc2)c2s1)=O |
| InChI | InChI=1S/C29H19N5O4S2/c35-27(17-33-22-10-4-1-7-19(22)28(36)20-8-2-5-11-23(20)33)32-30-16-18-13-14-26(24(15-18)34(37)38)40-29-31-21-9-3-6-12-25(21)39-29/h1-16H,17H2,(H,32,35) |
| InChIK | HUHDFULZZUYTIU-UHFFFAOYSA-N |
| TotalMolweight | 565.633 |
| Molweight | 565.633 |
| MonoisotopicMass | 565.087845 |
| CLogP | 5.7093 |
| CLogS | -9.635 |
| H Acceptors | 9 |
| H Donors | 1 |
| TotalSurfaceArea | 405.28 |
| Relative PSA | 0.32531 |
| PolarSurfaceArea | 174.02 |
| Druglikeness | 1.3363 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | aromatic nitro; acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.5 |
| Fragments | 1 |
| Non HAtoms | 40 |
| NonCHAtoms | 11 |
| Electronegative Atoms | 11 |
| Rotatable Bond | 7 |
| Rings Closures | 6 |
| Small Rings | 6 |
| Aromatic Rings | 5 |
| Aromatic Atoms | 27 |
| Sp3Atoms | 4 |
| Symmetricatoms | 6 |
| Amines | 1 |
| Aromatic Amines | 1 |
| Aromatic Nitrogens | 1 |
| AcidicOxygens | 1 |
| StereoCon |
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1 - N-[(Z)-[4-(1,3-benzothiazol-2-ylsulfanyl)-3-nitrophenyl]methylideneamino]-2-(9-oxoacridin-10-yl)acetamide | 2 - N-[(Z)-[4-(1,3-benzothiazol-2-ylsulfanyl)-3-nitrophenyl]methylideneamino]-2-(9-oxoacridin-10-yl)acetamide
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