methyl 7-ethyl-5-(3-fluorophenyl)-3-{2-[4-(2-fluorophenyl)piperazin-1-yl]-2-oxoethyl}-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
Chemical Structure Depiction of
methyl 7-ethyl-5-(3-fluorophenyl)-3-{2-[4-(2-fluorophenyl)piperazin-1-yl]-2-oxoethyl}-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
methyl 7-ethyl-5-(3-fluorophenyl)-3-{2-[4-(2-fluorophenyl)piperazin-1-yl]-2-oxoethyl}-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
Compound characteristics
| Compound ID: | V012-4433 |
| Compound Name: | methyl 7-ethyl-5-(3-fluorophenyl)-3-{2-[4-(2-fluorophenyl)piperazin-1-yl]-2-oxoethyl}-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate |
| Molecular Weight: | 538.62 |
| Molecular Formula: | C28 H28 F2 N4 O3 S |
| Salt: | not_available |
| Smiles: | CCC1=C(C(c2cccc(c2)F)N2C(CC(N3CCN(CC3)c3ccccc3F)=O)=CSC2=N1)C(=O)OC |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.6274 |
| logD: | 4.6259 |
| logSw: | -4.5134 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 52.518 |
| InChI Key: | IKAOHCSBTBPTAR-AREMUKBSSA-N |