benzyl 3-[2-(cyclopropylamino)-2-oxoethyl]-5-(3,4-dimethoxyphenyl)-7-methyl-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
Chemical Structure Depiction of
benzyl 3-[2-(cyclopropylamino)-2-oxoethyl]-5-(3,4-dimethoxyphenyl)-7-methyl-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
benzyl 3-[2-(cyclopropylamino)-2-oxoethyl]-5-(3,4-dimethoxyphenyl)-7-methyl-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
Compound characteristics
| Compound ID: | V021-5678 |
| Compound Name: | benzyl 3-[2-(cyclopropylamino)-2-oxoethyl]-5-(3,4-dimethoxyphenyl)-7-methyl-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate |
| Molecular Weight: | 519.62 |
| Molecular Formula: | C28 H29 N3 O5 S |
| Smiles: | CC1=C(C(c2ccc(c(c2)OC)OC)N2C(CC(NC3CC3)=O)=CSC2=N1)C(=O)OCc1ccccc1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.7358 |
| logD: | 3.7357 |
| logSw: | -4.0847 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 72.031 |
| InChI Key: | NTCYRRUMRZUQRY-AREMUKBSSA-N |