2-[4-(1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)-1,3-thiazol-2-yl]-3-(thiophen-2-yl)prop-2-enenitrile
Chemical Structure Depiction of
2-[4-(1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)-1,3-thiazol-2-yl]-3-(thiophen-2-yl)prop-2-enenitrile
2-[4-(1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)-1,3-thiazol-2-yl]-3-(thiophen-2-yl)prop-2-enenitrile
Compound characteristics
| Compound ID: | 8012-9800 |
| Compound Name: | 2-[4-(1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)-1,3-thiazol-2-yl]-3-(thiophen-2-yl)prop-2-enenitrile |
| Molecular Weight: | 404.51 |
| Molecular Formula: | C21 H16 N4 O S2 |
| Smiles: | CC1=C(C(N(c2ccccc2)N1C)=O)c1csc(C(=C\c2cccs2)\C#N)n1 |
| Stereo: | ACHIRAL |
| logP: | 3.6757 |
| logD: | 3.6757 |
| logSw: | -3.9645 |
| Hydrogen bond acceptors count: | 4 |
| Polar surface area: | 47.958 |
| InChI Key: | MTEOUMPBGIVNSW-UHFFFAOYSA-N |