benzyl 7-methyl-3-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]-5-(4-nitrophenyl)-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
Chemical Structure Depiction of
benzyl 7-methyl-3-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]-5-(4-nitrophenyl)-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
benzyl 7-methyl-3-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]-5-(4-nitrophenyl)-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
Compound characteristics
| Compound ID: | V019-6953 |
| Compound Name: | benzyl 7-methyl-3-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]-5-(4-nitrophenyl)-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate |
| Molecular Weight: | 547.63 |
| Molecular Formula: | C28 H29 N5 O5 S |
| Salt: | not_available |
| Smiles: | CC1=C(C(c2ccc(cc2)[N+]([O-])=O)N2C(CC(N3CCN(C)CC3)=O)=CSC2=N1)C(=O)OCc1ccccc1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.5175 |
| logD: | 3.2914 |
| logSw: | -3.6757 |
| Hydrogen bond acceptors count: | 12 |
| Polar surface area: | 85.493 |
| InChI Key: | AHJGCHZVWNVUIF-AREMUKBSSA-N |