(E)-N-[3-chloro-4-[4-(2-methylpropanoyl)piperazin-1-yl]phenyl]-3-(4-chloro-3-nitrophenyl)prop-2-enamide
Formula:C23H24N4O4Cl2
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(E)-N-[3-chloro-4-[4-(2-methylpropanoyl)piperazin-1-yl]phenyl]-3-(4-chloro-3-nitrophenyl)prop-2-enamide is a drug-like molecule.
| MolName | (E)-N-[3-chloro-4-[4-(2-methylpropanoyl)piperazin-1-yl]phenyl]-3-(4-chloro-3-nitrophenyl)prop-2-enamide |
| MolecularFormula | C23H24N4O4Cl2 |
| Smiles | CC(C)C(N(CC1)CCN1c(ccc(NC(/C=C/c(cc1)cc([N+]([O-])=O)c1Cl)=O)c1)c1Cl)=O |
| InChI | InChI=1S/C23H24Cl2N4O4/c1-15(2)23(31)28-11-9-27(10-12-28)20-7-5-17(14-19(20)25)26-22(30)8-4-16-3-6-18(24)21(13-16)29(32)33/h3-8,13-15H,9-12H2,1-2H3,(H,26,30) |
| InChIK | BISJHYBDMZNFQG-UHFFFAOYSA-N |
| TotalMolweight | 491.374 |
| Molweight | 491.374 |
| MonoisotopicMass | 490.11746 |
| CLogP | 3.9345 |
| CLogS | -5.747 |
| H Acceptors | 8 |
| H Donors | 1 |
| TotalSurfaceArea | 360.15 |
| Relative PSA | 0.20841 |
| PolarSurfaceArea | 98.47 |
| Druglikeness | 0.43569 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | aromatic nitro |
| Shape Index | 0.60606 |
| Fragments | 1 |
| Non HAtoms | 33 |
| NonCHAtoms | 10 |
| Electronegative Atoms | 10 |
| Rotatable Bond | 6 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 9 |
| Symmetricatoms | 3 |
| Amides | 2 |
| Amines | 1 |
| Aromatic Amines | 1 |
| AcidicOxygens | 1 |
| StereoCon |
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1 - (E)-N-[3-chloro-4-[4-(2-methylpropanoyl)piperazin-1-yl]phenyl]-3-(4-chloro-3-nitrophenyl)prop-2-enamide | 2 - (E)-N-[3-chloro-4-[4-(2-methylpropanoyl)piperazin-1-yl]phenyl]-3-(4-chloro-3-nitrophenyl)prop-2-enamide
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