(Z)-3-(3-bromophenyl)-2-cyano-N-[2-(1H-indol-3-yl)ethyl]prop-2-enamide
Formula:C20H16N3OBr
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(Z)-3-(3-bromophenyl)-2-cyano-N-[2-(1H-indol-3-yl)ethyl]prop-2-enamide is a drug-like molecule.
| MolName | (Z)-3-(3-bromophenyl)-2-cyano-N-[2-(1H-indol-3-yl)ethyl]prop-2-enamide |
| MolecularFormula | C20H16N3OBr |
| Smiles | N#C/C(/C(NCCc1c[nH]c2c1cccc2)=O)=C/c1cccc(Br)c1 |
| InChI | InChI=1S/C20H16BrN3O/c21-17-5-3-4-14(11-17)10-16(12-22)20(25)23-9-8-15-13-24-19-7-2-1-6-18(15)19/h1-7,10-11,13,24H,8-9H2,(H,23,25) |
| InChIK | DEKFJVOIEQKIKL-UHFFFAOYSA-N |
| TotalMolweight | 394.271 |
| Molweight | 394.271 |
| MonoisotopicMass | 393.047673 |
| CLogP | 3.8924 |
| CLogS | -5.057 |
| H Acceptors | 4 |
| H Donors | 2 |
| TotalSurfaceArea | 278.97 |
| Relative PSA | 0.18658 |
| PolarSurfaceArea | 68.68 |
| Druglikeness | -2.7782 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | twice activated DB |
| Shape Index | 0.6 |
| Fragments | 1 |
| Non HAtoms | 25 |
| NonCHAtoms | 5 |
| Electronegative Atoms | 5 |
| Rotatable Bond | 5 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 15 |
| Sp3Atoms | 2 |
| Amides | 1 |
| Aromatic Nitrogens | 1 |
| StereoCon |
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1 - (Z)-3-(3-bromophenyl)-2-cyano-N-[2-(1H-indol-3-yl)ethyl]prop-2-enamide | 2 - (Z)-3-(3-bromophenyl)-2-cyano-N-[2-(1H-indol-3-yl)ethyl]prop-2-enamide
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