N-[(Z)-[2,5-dimethyl-1-(2-methyl-5-nitrophenyl)pyrrol-3-yl]methylideneamino]-2,4-dimethoxybenzamide
Formula:C23H24N4O5
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N-[(Z)-[2,5-dimethyl-1-(2-methyl-5-nitrophenyl)pyrrol-3-yl]methylideneamino]-2,4-dimethoxybenzamide is a drug-like molecule.
| MolName | N-[(Z)-[2,5-dimethyl-1-(2-methyl-5-nitrophenyl)pyrrol-3-yl]methylideneamino]-2,4-dimethoxybenzamide |
| MolecularFormula | C23H24N4O5 |
| Smiles | Cc1cc(/C=N\NC(c(ccc(OC)c2)c2OC)=O)c(C)n1-c1c(C)ccc([N+]([O-])=O)c1 |
| InChI | InChI=1S/C23H24N4O5/c1-14-6-7-18(27(29)30)11-21(14)26-15(2)10-17(16(26)3)13-24-25-23(28)20-9-8-19(31-4)12-22(20)32-5/h6-13H,1-5H3,(H,25,28) |
| InChIK | JFRBNVVLHUBQKY-UHFFFAOYSA-N |
| TotalMolweight | 436.467 |
| Molweight | 436.467 |
| MonoisotopicMass | 436.174671 |
| CLogP | 3.4646 |
| CLogS | -7.61 |
| H Acceptors | 9 |
| H Donors | 1 |
| TotalSurfaceArea | 340.92 |
| Relative PSA | 0.27367 |
| PolarSurfaceArea | 110.67 |
| Druglikeness | 0.39857 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | aromatic nitro; acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.5625 |
| Fragments | 1 |
| Non HAtoms | 32 |
| NonCHAtoms | 9 |
| Electronegative Atoms | 9 |
| Rotatable Bond | 7 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 17 |
| Sp3Atoms | 8 |
| Aromatic Nitrogens | 1 |
| AcidicOxygens | 1 |
| StereoCon |
Click to Load Molecule:
1 - N-[(Z)-[2,5-dimethyl-1-(2-methyl-5-nitrophenyl)pyrrol-3-yl]methylideneamino]-2,4-dimethoxybenzamide | 2 - N-[(Z)-[2,5-dimethyl-1-(2-methyl-5-nitrophenyl)pyrrol-3-yl]methylideneamino]-2,4-dimethoxybenzamide
Spacefill |
Wire |
Ball & Stick |
Iso-vdw |
Opaque |
Dot Surface |
Mep |
Translucent |
Spin |
Label On |
Off