ethyl 2-({5-methoxy-2-[(prop-2-yn-1-yl)oxy]phenyl}methylidene)-7-methyl-5-(4-methyl-3-nitrophenyl)-3-oxo-2,3-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
Chemical Structure Depiction of
ethyl 2-({5-methoxy-2-[(prop-2-yn-1-yl)oxy]phenyl}methylidene)-7-methyl-5-(4-methyl-3-nitrophenyl)-3-oxo-2,3-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
ethyl 2-({5-methoxy-2-[(prop-2-yn-1-yl)oxy]phenyl}methylidene)-7-methyl-5-(4-methyl-3-nitrophenyl)-3-oxo-2,3-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
Compound characteristics
| Compound ID: | 8015-7231 |
| Compound Name: | ethyl 2-({5-methoxy-2-[(prop-2-yn-1-yl)oxy]phenyl}methylidene)-7-methyl-5-(4-methyl-3-nitrophenyl)-3-oxo-2,3-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate |
| Molecular Weight: | 547.59 |
| Molecular Formula: | C28 H25 N3 O7 S |
| Smiles: | CCOC(C1C(c2ccc(C)c(c2)[N+]([O-])=O)N2C(=NC=1C)SC(=C\c1cc(ccc1OCC#C)OC)\C2=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 5.3919 |
| logD: | 5.3919 |
| logSw: | -5.4696 |
| Hydrogen bond acceptors count: | 13 |
| Polar surface area: | 93.876 |
| InChI Key: | DYCSHJHQZQVBGD-RUZDIDTESA-N |