ethyl 7-methyl-5-(3-nitrophenyl)-3-oxo-2-[(thiophen-2-yl)methylidene]-2,3-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
Chemical Structure Depiction of
ethyl 7-methyl-5-(3-nitrophenyl)-3-oxo-2-[(thiophen-2-yl)methylidene]-2,3-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
ethyl 7-methyl-5-(3-nitrophenyl)-3-oxo-2-[(thiophen-2-yl)methylidene]-2,3-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
Compound characteristics
| Compound ID: | 2388-1165 |
| Compound Name: | ethyl 7-methyl-5-(3-nitrophenyl)-3-oxo-2-[(thiophen-2-yl)methylidene]-2,3-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate |
| Molecular Weight: | 455.51 |
| Molecular Formula: | C21 H17 N3 O5 S2 |
| Smiles: | CCOC(C1C(c2cccc(c2)[N+]([O-])=O)N2C(=NC=1C)SC(=C/c1cccs1)\C2=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.0356 |
| logD: | 4.0356 |
| logSw: | -4.0964 |
| Hydrogen bond acceptors count: | 11 |
| Polar surface area: | 80.147 |
| InChI Key: | LYJBOMFOGNLQKC-GOSISDBHSA-N |