ethyl 2-(4-{[1-(2H-1,3-benzodioxol-5-yl)-2,5-dimethyl-1H-pyrrol-3-yl]methylidene}-3-methyl-5-oxo-4,5-dihydro-1H-pyrazol-1-yl)-4-methyl-1,3-thiazole-5-carboxylate
Chemical Structure Depiction of
ethyl 2-(4-{[1-(2H-1,3-benzodioxol-5-yl)-2,5-dimethyl-1H-pyrrol-3-yl]methylidene}-3-methyl-5-oxo-4,5-dihydro-1H-pyrazol-1-yl)-4-methyl-1,3-thiazole-5-carboxylate
ethyl 2-(4-{[1-(2H-1,3-benzodioxol-5-yl)-2,5-dimethyl-1H-pyrrol-3-yl]methylidene}-3-methyl-5-oxo-4,5-dihydro-1H-pyrazol-1-yl)-4-methyl-1,3-thiazole-5-carboxylate
Compound characteristics
| Compound ID: | 4823-2815 |
| Compound Name: | ethyl 2-(4-{[1-(2H-1,3-benzodioxol-5-yl)-2,5-dimethyl-1H-pyrrol-3-yl]methylidene}-3-methyl-5-oxo-4,5-dihydro-1H-pyrazol-1-yl)-4-methyl-1,3-thiazole-5-carboxylate |
| Molecular Weight: | 492.55 |
| Molecular Formula: | C25 H24 N4 O5 S |
| Smiles: | CCOC(c1c(C)nc(N2C(C(=C\c3cc(C)n(c4ccc5c(c4)OCO5)c3C)\C(C)=N2)=O)s1)=O |
| Stereo: | ACHIRAL |
| logP: | 4.5015 |
| logD: | 4.5015 |
| logSw: | -4.3728 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 76.518 |
| InChI Key: | FHRZJIKMQIETMX-UHFFFAOYSA-N |