ethyl 2-[4-({3-chloro-4-[(prop-2-yn-1-yl)oxy]phenyl}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-({3-chloro-4-[(prop-2-yn-1-yl)oxy]phenyl}methylidene)-3-methyl-5-oxo-4,5-dihydro-1H-pyrazol-1-yl]-4-methyl-1,3-thiazole-5-carboxylate
ethyl 2-[4-({3-chloro-4-[(prop-2-yn-1-yl)oxy]phenyl}methylidene)-3-methyl-5-oxo-4,5-dihydro-1H-pyrazol-1-yl]-4-methyl-1,3-thiazole-5-carboxylate
Compound characteristics
| Compound ID: | 4823-2672 |
| Compound Name: | ethyl 2-[4-({3-chloro-4-[(prop-2-yn-1-yl)oxy]phenyl}methylidene)-3-methyl-5-oxo-4,5-dihydro-1H-pyrazol-1-yl]-4-methyl-1,3-thiazole-5-carboxylate |
| Molecular Weight: | 443.91 |
| Molecular Formula: | C21 H18 Cl N3 O4 S |
| Smiles: | CCOC(c1c(C)nc(N2C(C(=C\c3ccc(c(c3)[Cl])OCC#C)\C(C)=N2)=O)s1)=O |
| Stereo: | ACHIRAL |
| logP: | 4.453 |
| logD: | 4.453 |
| logSw: | -4.7063 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 64.242 |
| InChI Key: | MQFHSBQXENQVSU-UHFFFAOYSA-N |