(E)-2-cyano-3-(3,4-dichlorophenyl)-N-(3-morpholin-4-ylpropyl)prop-2-enamide
Formula:C17H19N3O2Cl2
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(E)-2-cyano-3-(3,4-dichlorophenyl)-N-(3-morpholin-4-ylpropyl)prop-2-enamide is a drug-like molecule.
| MolName | (E)-2-cyano-3-(3,4-dichlorophenyl)-N-(3-morpholin-4-ylpropyl)prop-2-enamide |
| MolecularFormula | C17H19N3O2Cl2 |
| Smiles | N#C/C(/C(NCCCN1CCOCC1)=O)=C\c(cc1)cc(Cl)c1Cl |
| InChI | InChI=1S/C17H19Cl2N3O2/c18-15-3-2-13(11-16(15)19)10-14(12-20)17(23)21-4-1-5-22-6-8-24-9-7-22/h2-3,10-11H,1,4-9H2,(H,21,23) |
| InChIK | IDUGLMBGUSDHGE-UHFFFAOYSA-N |
| TotalMolweight | 368.263 |
| Molweight | 368.263 |
| MonoisotopicMass | 367.085431 |
| CLogP | 2.6148 |
| CLogS | -3.495 |
| H Acceptors | 5 |
| H Donors | 1 |
| TotalSurfaceArea | 282.85 |
| Relative PSA | 0.18246 |
| PolarSurfaceArea | 65.36 |
| Druglikeness | 0.28145 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | twice activated DB |
| Shape Index | 0.66667 |
| Fragments | 1 |
| Non HAtoms | 24 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| Rotatable Bond | 6 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 1 |
| Aromatic Atoms | 6 |
| Sp3Atoms | 9 |
| Symmetricatoms | 2 |
| Amides | 1 |
| Amines | 1 |
| AlkylAmines | 1 |
| BasicNitrogens | 1 |
| StereoCon |
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1 - (E)-2-cyano-3-(3,4-dichlorophenyl)-N-(3-morpholin-4-ylpropyl)prop-2-enamide | 2 - (E)-2-cyano-3-(3,4-dichlorophenyl)-N-(3-morpholin-4-ylpropyl)prop-2-enamide
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