(E)-N-(2-morpholin-4-ylethyl)-3-(1-phenyl-3-thiophen-2-ylpyrazol-4-yl)prop-2-enamide
Formula:C22H24N4O2S
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(E)-N-(2-morpholin-4-ylethyl)-3-(1-phenyl-3-thiophen-2-ylpyrazol-4-yl)prop-2-enamide is a drug-like molecule.
| MolName | (E)-N-(2-morpholin-4-ylethyl)-3-(1-phenyl-3-thiophen-2-ylpyrazol-4-yl)prop-2-enamide |
| MolecularFormula | C22H24N4O2S |
| Smiles | O=C(/C=C/c1cn(-c2ccccc2)nc1-c1cccs1)NCCN1CCOCC1 |
| InChI | InChI=1S/C22H24N4O2S/c27-21(23-10-11-25-12-14-28-15-13-25)9-8-18-17-26(19-5-2-1-3-6-19)24-22(18)20-7-4-16-29-20/h1-9,16-17H,10-15H2,(H,23,27) |
| InChIK | OOTNZPUTNMQMGW-UHFFFAOYSA-N |
| TotalMolweight | 408.525 |
| Molweight | 408.525 |
| MonoisotopicMass | 408.161996 |
| CLogP | 2.0389 |
| CLogS | -2.915 |
| H Acceptors | 6 |
| H Donors | 1 |
| TotalSurfaceArea | 321.75 |
| Relative PSA | 0.23699 |
| PolarSurfaceArea | 87.63 |
| Druglikeness | 5.4895 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.58621 |
| Fragments | 1 |
| Non HAtoms | 29 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| Rotatable Bond | 7 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 16 |
| Sp3Atoms | 8 |
| Symmetricatoms | 4 |
| Amides | 1 |
| Amines | 1 |
| AlkylAmines | 1 |
| Aromatic Nitrogens | 2 |
| BasicNitrogens | 1 |
| StereoCon |
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