(Z)-2-(4-cyclopropyl-1,3-thiazol-2-yl)-3-(4-phenylmethoxyphenyl)prop-2-enenitrile
Formula:C22H18N2OS
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(Z)-2-(4-cyclopropyl-1,3-thiazol-2-yl)-3-(4-phenylmethoxyphenyl)prop-2-enenitrile is a drug-like molecule.
| MolName | (Z)-2-(4-cyclopropyl-1,3-thiazol-2-yl)-3-(4-phenylmethoxyphenyl)prop-2-enenitrile |
| MolecularFormula | C22H18N2OS |
| Smiles | N#C/C(/c1nc(C2CC2)cs1)=C/c(cc1)ccc1OCc1ccccc1 |
| InChI | InChI=1S/C22H18N2OS/c23-13-19(22-24-21(15-26-22)18-8-9-18)12-16-6-10-20(11-7-16)25-14-17-4-2-1-3-5-17/h1-7,10-12,15,18H,8-9,14H2 |
| InChIK | UWZWJCDQDXEDPO-UHFFFAOYSA-N |
| TotalMolweight | 358.464 |
| Molweight | 358.464 |
| MonoisotopicMass | 358.113983 |
| CLogP | 4.6756 |
| CLogS | -4.981 |
| H Acceptors | 3 |
| TotalSurfaceArea | 284.18 |
| Relative PSA | 0.19315 |
| PolarSurfaceArea | 74.15 |
| Druglikeness | -1.2666 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.65385 |
| Fragments | 1 |
| Non HAtoms | 26 |
| NonCHAtoms | 4 |
| Electronegative Atoms | 4 |
| Rotatable Bond | 6 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 17 |
| Sp3Atoms | 5 |
| Symmetricatoms | 5 |
| Aromatic Nitrogens | 1 |
| StereoCon |
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