(E)-N-(3-imidazol-1-ylpropyl)-3-(4-morpholin-4-ylsulfonylphenyl)prop-2-enamide
Formula:C19H24N4O4S
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(E)-N-(3-imidazol-1-ylpropyl)-3-(4-morpholin-4-ylsulfonylphenyl)prop-2-enamide is a drug-like molecule.
| MolName | (E)-N-(3-imidazol-1-ylpropyl)-3-(4-morpholin-4-ylsulfonylphenyl)prop-2-enamide |
| MolecularFormula | C19H24N4O4S |
| Smiles | O=C(/C=C/c(cc1)ccc1S(N1CCOCC1)(=O)=O)NCCCn1cncc1 |
| InChI | InChI=1S/C19H24N4O4S/c24-19(21-8-1-10-22-11-9-20-16-22)7-4-17-2-5-18(6-3-17)28(25,26)23-12-14-27-15-13-23/h2-7,9,11,16H,1,8,10,12-15H2,(H,21,24) |
| InChIK | VRSNTKUZYDUMEC-UHFFFAOYSA-N |
| TotalMolweight | 404.49 |
| Molweight | 404.49 |
| MonoisotopicMass | 404.151826 |
| CLogP | 0.5625 |
| CLogS | -0.882 |
| H Acceptors | 8 |
| H Donors | 1 |
| TotalSurfaceArea | 308.39 |
| Relative PSA | 0.27391 |
| PolarSurfaceArea | 101.91 |
| Druglikeness | 3.8341 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.67857 |
| Fragments | 1 |
| Non HAtoms | 28 |
| NonCHAtoms | 9 |
| Electronegative Atoms | 9 |
| Rotatable Bond | 7 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 11 |
| Sp3Atoms | 9 |
| Symmetricatoms | 5 |
| Amides | 2 |
| Aromatic Nitrogens | 2 |
| BasicNitrogens | 1 |
| StereoCon |
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