methyl 3-[2-(4-benzylpiperidin-1-yl)-2-oxoethyl]-7-ethyl-5-(3-methylphenyl)-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
Chemical Structure Depiction of
methyl 3-[2-(4-benzylpiperidin-1-yl)-2-oxoethyl]-7-ethyl-5-(3-methylphenyl)-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
methyl 3-[2-(4-benzylpiperidin-1-yl)-2-oxoethyl]-7-ethyl-5-(3-methylphenyl)-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
Compound characteristics
| Compound ID: | V012-5295 |
| Compound Name: | methyl 3-[2-(4-benzylpiperidin-1-yl)-2-oxoethyl]-7-ethyl-5-(3-methylphenyl)-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate |
| Molecular Weight: | 529.7 |
| Molecular Formula: | C31 H35 N3 O3 S |
| Smiles: | CCC1=C(C(c2cccc(C)c2)N2C(CC(N3CCC(CC3)Cc3ccccc3)=O)=CSC2=N1)C(=O)OC |
| Stereo: | RACEMIC MIXTURE |
| logP: | 6.2365 |
| logD: | 6.235 |
| logSw: | -5.6018 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 49.287 |
| InChI Key: | AGDHYKQJLBPAFP-GDLZYMKVSA-N |