methyl 3-{2-[(1-benzylpiperidin-4-yl)amino]-2-oxoethyl}-7-ethyl-5-(3-methylphenyl)-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
Chemical Structure Depiction of
methyl 3-{2-[(1-benzylpiperidin-4-yl)amino]-2-oxoethyl}-7-ethyl-5-(3-methylphenyl)-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
methyl 3-{2-[(1-benzylpiperidin-4-yl)amino]-2-oxoethyl}-7-ethyl-5-(3-methylphenyl)-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
Compound characteristics
| Compound ID: | V012-5283 |
| Compound Name: | methyl 3-{2-[(1-benzylpiperidin-4-yl)amino]-2-oxoethyl}-7-ethyl-5-(3-methylphenyl)-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate |
| Molecular Weight: | 544.72 |
| Molecular Formula: | C31 H36 N4 O3 S |
| Salt: | not_available |
| Smiles: | CCC1=C(C(c2cccc(C)c2)N2C(CC(NC3CCN(CC3)Cc3ccccc3)=O)=CSC2=N1)C(=O)OC |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.7977 |
| logD: | 3.24 |
| logSw: | -4.6141 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 60.903 |
| InChI Key: | KKJRZVJAANAPNF-GDLZYMKVSA-N |