methyl 3-[2-(4-benzylpiperazin-1-yl)-2-oxoethyl]-5-(3-chlorophenyl)-7-methyl-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
Chemical Structure Depiction of
methyl 3-[2-(4-benzylpiperazin-1-yl)-2-oxoethyl]-5-(3-chlorophenyl)-7-methyl-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
methyl 3-[2-(4-benzylpiperazin-1-yl)-2-oxoethyl]-5-(3-chlorophenyl)-7-methyl-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
Compound characteristics
| Compound ID: | V012-0866 |
| Compound Name: | methyl 3-[2-(4-benzylpiperazin-1-yl)-2-oxoethyl]-5-(3-chlorophenyl)-7-methyl-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate |
| Molecular Weight: | 537.08 |
| Molecular Formula: | C28 H29 Cl N4 O3 S |
| Salt: | not_available |
| Smiles: | CC1=C(C(c2cccc(c2)[Cl])N2C(CC(N3CCN(CC3)Cc3ccccc3)=O)=CSC2=N1)C(=O)OC |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.1787 |
| logD: | 4.1492 |
| logSw: | -4.479 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 52.492 |
| InChI Key: | XPXMFVNIRHXNBB-SANMLTNESA-N |