(E)-N-[2-(1H-indol-3-yl)ethyl]-3-(4-nitrophenyl)-N-[(3-phenoxyphenyl)methyl]prop-2-enamide
Formula:C32H27N3O4
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(E)-N-[2-(1H-indol-3-yl)ethyl]-3-(4-nitrophenyl)-N-[(3-phenoxyphenyl)methyl]prop-2-enamide is not a drug-like molecule.
| MolName | (E)-N-[2-(1H-indol-3-yl)ethyl]-3-(4-nitrophenyl)-N-[(3-phenoxyphenyl)methyl]prop-2-enamide |
| MolecularFormula | C32H27N3O4 |
| Smiles | [O-][N+](c1ccc(/C=C/C(N(CCc2c[nH]c3c2cccc3)Cc2cc(Oc3ccccc3)ccc2)=O)cc1)=O |
| InChI | InChI=1S/C32H27N3O4/c36-32(18-15-24-13-16-27(17-14-24)35(37)38)34(20-19-26-22-33-31-12-5-4-11-30(26)31)23-25-7-6-10-29(21-25)39-28-8-2-1-3-9-28/h1-18,21-22,33H,19-20,23H2 |
| InChIK | XZZATSSPXLDLLB-UHFFFAOYSA-N |
| TotalMolweight | 517.583 |
| Molweight | 517.583 |
| MonoisotopicMass | 517.200157 |
| CLogP | 5.4738 |
| CLogS | -7.669 |
| H Acceptors | 7 |
| H Donors | 1 |
| TotalSurfaceArea | 406.21 |
| Relative PSA | 0.17479 |
| PolarSurfaceArea | 91.15 |
| Druglikeness | -2.2975 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | aromatic nitro |
| Shape Index | 0.48718 |
| Fragments | 1 |
| Non HAtoms | 39 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| Rotatable Bond | 10 |
| Rings Closures | 5 |
| Small Rings | 5 |
| Aromatic Rings | 5 |
| Aromatic Atoms | 27 |
| Sp3Atoms | 5 |
| Symmetricatoms | 4 |
| Amides | 1 |
| Aromatic Nitrogens | 1 |
| AcidicOxygens | 1 |
| StereoCon |
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1 - (E)-N-[2-(1H-indol-3-yl)ethyl]-3-(4-nitrophenyl)-N-[(3-phenoxyphenyl)methyl]prop-2-enamide | 2 - (E)-N-[2-(1H-indol-3-yl)ethyl]-3-(4-nitrophenyl)-N-[(3-phenoxyphenyl)methyl]prop-2-enamide
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