(E)-N-[2-[[2-(4-bromophenyl)-1H-indol-3-yl]sulfanyl]ethyl]-3-phenylprop-2-enamide
Formula:C25H21N2OBrS
Mutagenic:none
Tumorigenic:none
Reproductive Effective:low
(E)-N-[2-[[2-(4-bromophenyl)-1H-indol-3-yl]sulfanyl]ethyl]-3-phenylprop-2-enamide is not a drug-like molecule.
| MolName | (E)-N-[2-[[2-(4-bromophenyl)-1H-indol-3-yl]sulfanyl]ethyl]-3-phenylprop-2-enamide |
| MolecularFormula | C25H21N2OBrS |
| Smiles | O=C(/C=C/c1ccccc1)NCCSc1c(-c(cc2)ccc2Br)[nH]c2c1cccc2 |
| InChI | InChI=1S/C25H21BrN2OS/c26-20-13-11-19(12-14-20)24-25(21-8-4-5-9-22(21)28-24)30-17-16-27-23(29)15-10-18-6-2-1-3-7-18/h1-15,28H,16-17H2,(H,27,29) |
| InChIK | IZNAZENMBOGZHA-UHFFFAOYSA-N |
| TotalMolweight | 477.425 |
| Molweight | 477.425 |
| MonoisotopicMass | 476.055794 |
| CLogP | 6.0053 |
| CLogS | -7.14 |
| H Acceptors | 3 |
| H Donors | 2 |
| TotalSurfaceArea | 336.3 |
| Relative PSA | 0.16646 |
| PolarSurfaceArea | 70.19 |
| Druglikeness | -0.29452 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | low |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.6 |
| Fragments | 1 |
| Non HAtoms | 30 |
| NonCHAtoms | 5 |
| Electronegative Atoms | 5 |
| Rotatable Bond | 7 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 4 |
| Aromatic Atoms | 21 |
| Sp3Atoms | 3 |
| Symmetricatoms | 4 |
| Amides | 1 |
| Aromatic Nitrogens | 1 |
| StereoCon |
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1 - (E)-N-[2-[[2-(4-bromophenyl)-1H-indol-3-yl]sulfanyl]ethyl]-3-phenylprop-2-enamide | 2 - (E)-N-[2-[[2-(4-bromophenyl)-1H-indol-3-yl]sulfanyl]ethyl]-3-phenylprop-2-enamide
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