methyl 3-[2-(4-acetylpiperazin-1-yl)-2-oxoethyl]-7-ethyl-5-[4-(propan-2-yl)phenyl]-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
Chemical Structure Depiction of
methyl 3-[2-(4-acetylpiperazin-1-yl)-2-oxoethyl]-7-ethyl-5-[4-(propan-2-yl)phenyl]-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
methyl 3-[2-(4-acetylpiperazin-1-yl)-2-oxoethyl]-7-ethyl-5-[4-(propan-2-yl)phenyl]-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
Compound characteristics
| Compound ID: | V020-0394 |
| Compound Name: | methyl 3-[2-(4-acetylpiperazin-1-yl)-2-oxoethyl]-7-ethyl-5-[4-(propan-2-yl)phenyl]-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate |
| Molecular Weight: | 510.66 |
| Molecular Formula: | C27 H34 N4 O4 S |
| Smiles: | CCC1=C(C(c2ccc(cc2)C(C)C)N2C(CC(N3CCN(CC3)C(C)=O)=O)=CSC2=N1)C(=O)OC |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.708 |
| logD: | 3.7065 |
| logSw: | -3.8892 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 66.754 |
| InChI Key: | KPKXRQXHADJPHX-RUZDIDTESA-N |