N-[(Z)-[(E)-3-(2-nitrophenyl)prop-2-enylidene]amino]-3-(4-phenylpiperazin-1-yl)propanamide
Formula:C22H25N5O3
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N-[(Z)-[(E)-3-(2-nitrophenyl)prop-2-enylidene]amino]-3-(4-phenylpiperazin-1-yl)propanamide is a drug-like molecule.
| MolName | N-[(Z)-[(E)-3-(2-nitrophenyl)prop-2-enylidene]amino]-3-(4-phenylpiperazin-1-yl)propanamide |
| MolecularFormula | C22H25N5O3 |
| Smiles | [O-][N+](c1c(/C=C/C=N\NC(CCN(CC2)CCN2c2ccccc2)=O)cccc1)=O |
| InChI | InChI=1S/C22H25N5O3/c28-22(24-23-13-6-8-19-7-4-5-11-21(19)27(29)30)12-14-25-15-17-26(18-16-25)20-9-2-1-3-10-20/h1-11,13H,12,14-18H2,(H,24,28) |
| InChIK | UKZGKGLVKFIYRI-UHFFFAOYSA-N |
| TotalMolweight | 407.473 |
| Molweight | 407.473 |
| MonoisotopicMass | 407.19574 |
| CLogP | 1.2495 |
| CLogS | -4.11 |
| H Acceptors | 8 |
| H Donors | 1 |
| TotalSurfaceArea | 326.82 |
| Relative PSA | 0.22499 |
| PolarSurfaceArea | 93.76 |
| Druglikeness | 5.0859 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | aromatic nitro; acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.66667 |
| Fragments | 1 |
| Non HAtoms | 30 |
| NonCHAtoms | 8 |
| Electronegative Atoms | 8 |
| Rotatable Bond | 8 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 8 |
| Symmetricatoms | 4 |
| Amines | 2 |
| AlkylAmines | 1 |
| Aromatic Amines | 1 |
| BasicNitrogens | 1 |
| AcidicOxygens | 1 |
| StereoCon |
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1 - N-[(Z)-[(E)-3-(2-nitrophenyl)prop-2-enylidene]amino]-3-(4-phenylpiperazin-1-yl)propanamide | 2 - N-[(Z)-[(E)-3-(2-nitrophenyl)prop-2-enylidene]amino]-3-(4-phenylpiperazin-1-yl)propanamide
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