ethyl 2-{[2-(acetyloxy)-5-bromophenyl]methylidene}-7-methyl-5-(3-nitrophenyl)-3-oxo-2,3-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
Chemical Structure Depiction of
ethyl 2-{[2-(acetyloxy)-5-bromophenyl]methylidene}-7-methyl-5-(3-nitrophenyl)-3-oxo-2,3-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
ethyl 2-{[2-(acetyloxy)-5-bromophenyl]methylidene}-7-methyl-5-(3-nitrophenyl)-3-oxo-2,3-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
Compound characteristics
| Compound ID: | 2388-1166 |
| Compound Name: | ethyl 2-{[2-(acetyloxy)-5-bromophenyl]methylidene}-7-methyl-5-(3-nitrophenyl)-3-oxo-2,3-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate |
| Molecular Weight: | 586.42 |
| Molecular Formula: | C25 H20 Br N3 O7 S |
| Smiles: | CCOC(C1C(c2cccc(c2)[N+]([O-])=O)N2C(=NC=1C)SC(=C/c1cc(ccc1OC(C)=O)[Br])\C2=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.7317 |
| logD: | 4.7317 |
| logSw: | -4.7376 |
| Hydrogen bond acceptors count: | 14 |
| Polar surface area: | 99.967 |
| InChI Key: | BQIXLLKPAYRUIB-QFIPXVFZSA-N |