ethyl 3-[2-(4-acetylpiperazin-1-yl)-2-oxoethyl]-5-(3-nitrophenyl)-7-phenyl-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
Chemical Structure Depiction of
ethyl 3-[2-(4-acetylpiperazin-1-yl)-2-oxoethyl]-5-(3-nitrophenyl)-7-phenyl-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
ethyl 3-[2-(4-acetylpiperazin-1-yl)-2-oxoethyl]-5-(3-nitrophenyl)-7-phenyl-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
Compound characteristics
| Compound ID: | V019-3422 |
| Compound Name: | ethyl 3-[2-(4-acetylpiperazin-1-yl)-2-oxoethyl]-5-(3-nitrophenyl)-7-phenyl-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate |
| Molecular Weight: | 575.64 |
| Molecular Formula: | C29 H29 N5 O6 S |
| Smiles: | CCOC(C1C(c2cccc(c2)[N+]([O-])=O)N2C(CC(N3CCN(CC3)C(C)=O)=O)=CSC2=NC=1c1ccccc1)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.8621 |
| logD: | 3.8563 |
| logSw: | -3.9303 |
| Hydrogen bond acceptors count: | 13 |
| Polar surface area: | 99.338 |
| InChI Key: | AAYKFEUDXJADQE-HHHXNRCGSA-N |