benzyl 3-{2-[(butan-2-yl)amino]-2-oxoethyl}-5-(2,4-dimethylphenyl)-7-methyl-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
Chemical Structure Depiction of
benzyl 3-{2-[(butan-2-yl)amino]-2-oxoethyl}-5-(2,4-dimethylphenyl)-7-methyl-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
benzyl 3-{2-[(butan-2-yl)amino]-2-oxoethyl}-5-(2,4-dimethylphenyl)-7-methyl-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
Compound characteristics
| Compound ID: | V020-0349 |
| Compound Name: | benzyl 3-{2-[(butan-2-yl)amino]-2-oxoethyl}-5-(2,4-dimethylphenyl)-7-methyl-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate |
| Molecular Weight: | 503.66 |
| Molecular Formula: | C29 H33 N3 O3 S |
| Smiles: | CCC(C)NC(CC1=CSC2=NC(C)=C(C(c3ccc(C)cc3C)N12)C(=O)OCc1ccccc1)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 5.7323 |
| logD: | 5.7316 |
| logSw: | -5.3864 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 56.427 |
| InChI Key: | DUBGOCMDGVXWHK-UHFFFAOYSA-N |