methyl 3-[2-(4-acetylpiperazin-1-yl)-2-oxoethyl]-7-methyl-5-(3-nitrophenyl)-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
Chemical Structure Depiction of
methyl 3-[2-(4-acetylpiperazin-1-yl)-2-oxoethyl]-7-methyl-5-(3-nitrophenyl)-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
methyl 3-[2-(4-acetylpiperazin-1-yl)-2-oxoethyl]-7-methyl-5-(3-nitrophenyl)-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
Compound characteristics
| Compound ID: | V020-0428 |
| Compound Name: | methyl 3-[2-(4-acetylpiperazin-1-yl)-2-oxoethyl]-7-methyl-5-(3-nitrophenyl)-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate |
| Molecular Weight: | 499.54 |
| Molecular Formula: | C23 H25 N5 O6 S |
| Smiles: | CC1=C(C(c2cccc(c2)[N+]([O-])=O)N2C(CC(N3CCN(CC3)C(C)=O)=O)=CSC2=N1)C(=O)OC |
| Stereo: | RACEMIC MIXTURE |
| logP: | 1.774 |
| logD: | 1.7734 |
| logSw: | -2.322 |
| Hydrogen bond acceptors count: | 13 |
| Polar surface area: | 99.529 |
| InChI Key: | BQNHQBRVGFUITN-OAQYLSRUSA-N |