ethyl 2-{[4-(acetyloxy)-3-methoxyphenyl]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-{[4-(acetyloxy)-3-methoxyphenyl]methylidene}-7-methyl-5-(3-nitrophenyl)-3-oxo-2,3-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
ethyl 2-{[4-(acetyloxy)-3-methoxyphenyl]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: | 2388-1162 |
| Compound Name: | ethyl 2-{[4-(acetyloxy)-3-methoxyphenyl]methylidene}-7-methyl-5-(3-nitrophenyl)-3-oxo-2,3-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate |
| Molecular Weight: | 537.55 |
| Molecular Formula: | C26 H23 N3 O8 S |
| Smiles: | CCOC(C1C(c2cccc(c2)[N+]([O-])=O)N2C(=NC=1C)SC(=C/c1ccc(c(c1)OC)OC(C)=O)\C2=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.8666 |
| logD: | 3.8666 |
| logSw: | -4.1369 |
| Hydrogen bond acceptors count: | 15 |
| Polar surface area: | 107.597 |
| InChI Key: | IPBXFUUTIYXVPD-HSZRJFAPSA-N |