3-[(E)-2-phenylethenyl]sulfonyl-N-[1-(2-phenylmethoxyethyl)pyrazol-4-yl]propanamide
Formula:C23H25N3O4S
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
3-[(E)-2-phenylethenyl]sulfonyl-N-[1-(2-phenylmethoxyethyl)pyrazol-4-yl]propanamide is a drug-like molecule.
| MolName | 3-[(E)-2-phenylethenyl]sulfonyl-N-[1-(2-phenylmethoxyethyl)pyrazol-4-yl]propanamide |
| MolecularFormula | C23H25N3O4S |
| Smiles | O=C(CCS(/C=C/c1ccccc1)(=O)=O)Nc1cn(CCOCc2ccccc2)nc1 |
| InChI | InChI=1S/C23H25N3O4S/c27-23(12-16-31(28,29)15-11-20-7-3-1-4-8-20)25-22-17-24-26(18-22)13-14-30-19-21-9-5-2-6-10-21/h1-11,15,17-18H,12-14,16,19H2,(H,25,27) |
| InChIK | CWCSWGIAONKNQP-UHFFFAOYSA-N |
| TotalMolweight | 439.535 |
| Molweight | 439.535 |
| MonoisotopicMass | 439.156577 |
| CLogP | 1.5081 |
| CLogS | -3.438 |
| H Acceptors | 7 |
| H Donors | 1 |
| TotalSurfaceArea | 343.83 |
| Relative PSA | 0.23535 |
| PolarSurfaceArea | 98.67 |
| Druglikeness | -7.6961 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.70968 |
| Fragments | 1 |
| Non HAtoms | 31 |
| NonCHAtoms | 8 |
| Electronegative Atoms | 8 |
| Rotatable Bond | 11 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 17 |
| Sp3Atoms | 7 |
| Symmetricatoms | 5 |
| Amides | 1 |
| Aromatic Nitrogens | 2 |
| StereoCon |
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