(E)-3-(1,3-benzodioxol-5-yl)-N-[2-[4-[(E)-3-(1,3-benzodioxol-5-yl)prop-2-enoyl]piperazin-1-yl]ethyl]prop-2-enamide
Formula:C26H27N3O6
Mutagenic:none
Tumorigenic:none
Reproductive Effective:high
(E)-3-(1,3-benzodioxol-5-yl)-N-[2-[4-[(E)-3-(1,3-benzodioxol-5-yl)prop-2-enoyl]piperazin-1-yl]ethyl]prop-2-enamide is a drug-like molecule.
| MolName | (E)-3-(1,3-benzodioxol-5-yl)-N-[2-[4-[(E)-3-(1,3-benzodioxol-5-yl)prop-2-enoyl]piperazin-1-yl]ethyl]prop-2-enamide |
| MolecularFormula | C26H27N3O6 |
| Smiles | O=C(/C=C/c(cc1)cc2c1OCO2)NCCN(CC1)CCN1C(/C=C/c(cc1)cc2c1OCO2)=O |
| InChI | InChI=1S/C26H27N3O6/c30-25(7-3-19-1-5-21-23(15-19)34-17-32-21)27-9-10-28-11-13-29(14-12-28)26(31)8-4-20-2-6-22-24(16-20)35-18-33-22/h1-8,15-16H,9-14,17-18H2,(H,27,30) |
| InChIK | AYXQJLOTUYPUJU-UHFFFAOYSA-N |
| TotalMolweight | 477.515 |
| Molweight | 477.515 |
| MonoisotopicMass | 477.189987 |
| CLogP | 3.2583 |
| CLogS | -4.227 |
| H Acceptors | 9 |
| H Donors | 1 |
| TotalSurfaceArea | 363.16 |
| Relative PSA | 0.23307 |
| PolarSurfaceArea | 89.57 |
| Druglikeness | 6.7763 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | high |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.65714 |
| Fragments | 1 |
| Non HAtoms | 35 |
| NonCHAtoms | 9 |
| Electronegative Atoms | 9 |
| Rotatable Bond | 7 |
| Rings Closures | 5 |
| Small Rings | 5 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 13 |
| Symmetricatoms | 2 |
| Amides | 2 |
| Amines | 1 |
| AlkylAmines | 1 |
| BasicNitrogens | 1 |
| StereoCon |
Click to Load Molecule:
1 - (E)-3-(1,3-benzodioxol-5-yl)-N-[2-[4-[(E)-3-(1,3-benzodioxol-5-yl)prop-2-enoyl]piperazin-1-yl]ethyl]prop-2-enamide | 2 - (E)-3-(1,3-benzodioxol-5-yl)-N-[2-[4-[(E)-3-(1,3-benzodioxol-5-yl)prop-2-enoyl]piperazin-1-yl]ethyl]prop-2-enamide
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