methyl 3-[2-(4-benzylpiperidin-1-yl)-2-oxoethyl]-7-methyl-5-(thiophen-3-yl)-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
Chemical Structure Depiction of
methyl 3-[2-(4-benzylpiperidin-1-yl)-2-oxoethyl]-7-methyl-5-(thiophen-3-yl)-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
methyl 3-[2-(4-benzylpiperidin-1-yl)-2-oxoethyl]-7-methyl-5-(thiophen-3-yl)-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
Compound characteristics
| Compound ID: | V031-0390 |
| Compound Name: | methyl 3-[2-(4-benzylpiperidin-1-yl)-2-oxoethyl]-7-methyl-5-(thiophen-3-yl)-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate |
| Molecular Weight: | 507.67 |
| Molecular Formula: | C27 H29 N3 O3 S2 |
| Salt: | not_available |
| Smiles: | CC1=C(C(c2ccsc2)N2C(CC(N3CCC(CC3)Cc3ccccc3)=O)=CSC2=N1)C(=O)OC |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.9425 |
| logD: | 4.9423 |
| logSw: | -4.8097 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 49.698 |
| InChI Key: | VTNLKFHYXQJFEP-RUZDIDTESA-N |