benzyl 3-[2-(4-acetylpiperazin-1-yl)-2-oxoethyl]-5-(2,4-dimethylphenyl)-7-methyl-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
Chemical Structure Depiction of
benzyl 3-[2-(4-acetylpiperazin-1-yl)-2-oxoethyl]-5-(2,4-dimethylphenyl)-7-methyl-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
benzyl 3-[2-(4-acetylpiperazin-1-yl)-2-oxoethyl]-5-(2,4-dimethylphenyl)-7-methyl-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
Compound characteristics
| Compound ID: | V020-0420 |
| Compound Name: | benzyl 3-[2-(4-acetylpiperazin-1-yl)-2-oxoethyl]-5-(2,4-dimethylphenyl)-7-methyl-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate |
| Molecular Weight: | 558.7 |
| Molecular Formula: | C31 H34 N4 O4 S |
| Smiles: | CC1=C(C(c2ccc(C)cc2C)N2C(CC(N3CCN(CC3)C(C)=O)=O)=CSC2=N1)C(=O)OCc1ccccc1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.4951 |
| logD: | 4.4945 |
| logSw: | -4.5705 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 65.831 |
| InChI Key: | IFWATVKXRQBILN-GDLZYMKVSA-N |