methyl 7-ethyl-5-(3-methylphenyl)-3-{2-oxo-2-[4-(2-phenylethyl)piperazin-1-yl]ethyl}-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
Chemical Structure Depiction of
methyl 7-ethyl-5-(3-methylphenyl)-3-{2-oxo-2-[4-(2-phenylethyl)piperazin-1-yl]ethyl}-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
methyl 7-ethyl-5-(3-methylphenyl)-3-{2-oxo-2-[4-(2-phenylethyl)piperazin-1-yl]ethyl}-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
Compound characteristics
| Compound ID: | V002-0399 |
| Compound Name: | methyl 7-ethyl-5-(3-methylphenyl)-3-{2-oxo-2-[4-(2-phenylethyl)piperazin-1-yl]ethyl}-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(N3CCN(CCc4ccccc4)CC3)=O)=CSC2=N1)C(=O)OC |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.8384 |
| logD: | 4.7814 |
| logSw: | -4.7291 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 53.077 |
| InChI Key: | KFRYHRWRBWGHOC-GDLZYMKVSA-N |