benzyl 5-(2,4-dimethylphenyl)-3-(2-{[(4-fluorophenyl)methyl]amino}-2-oxoethyl)-7-methyl-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
Chemical Structure Depiction of
benzyl 5-(2,4-dimethylphenyl)-3-(2-{[(4-fluorophenyl)methyl]amino}-2-oxoethyl)-7-methyl-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
benzyl 5-(2,4-dimethylphenyl)-3-(2-{[(4-fluorophenyl)methyl]amino}-2-oxoethyl)-7-methyl-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
Compound characteristics
| Compound ID: | V019-8300 |
| Compound Name: | benzyl 5-(2,4-dimethylphenyl)-3-(2-{[(4-fluorophenyl)methyl]amino}-2-oxoethyl)-7-methyl-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate |
| Molecular Weight: | 555.67 |
| Molecular Formula: | C32 H30 F N3 O3 S |
| Smiles: | CC1=C(C(c2ccc(C)cc2C)N2C(CC(NCc3ccc(cc3)F)=O)=CSC2=N1)C(=O)OCc1ccccc1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 6.2186 |
| logD: | 6.2179 |
| logSw: | -5.484 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 56.714 |
| InChI Key: | HOWMZYKNKWHFMH-SSEXGKCCSA-N |