methyl 4-({3-[(2,3-dimethylphenyl)carbamoyl]-7-methyl-5-oxo-5H-[1,3]thiazolo[3,2-a]pyrimidine-2-carbonyl}amino)benzoate
Chemical Structure Depiction of
methyl 4-({3-[(2,3-dimethylphenyl)carbamoyl]-7-methyl-5-oxo-5H-[1,3]thiazolo[3,2-a]pyrimidine-2-carbonyl}amino)benzoate
methyl 4-({3-[(2,3-dimethylphenyl)carbamoyl]-7-methyl-5-oxo-5H-[1,3]thiazolo[3,2-a]pyrimidine-2-carbonyl}amino)benzoate
Compound characteristics
| Compound ID: | D082-0062 |
| Compound Name: | methyl 4-({3-[(2,3-dimethylphenyl)carbamoyl]-7-methyl-5-oxo-5H-[1,3]thiazolo[3,2-a]pyrimidine-2-carbonyl}amino)benzoate |
| Molecular Weight: | 490.54 |
| Molecular Formula: | C25 H22 N4 O5 S |
| Smiles: | CC1=CC(N2C(=C(C(Nc3ccc(cc3)C(=O)OC)=O)SC2=N1)C(Nc1cccc(C)c1C)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.9258 |
| logD: | 3.6879 |
| logSw: | -4.1687 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 92.734 |
| InChI Key: | AEUNULKUJJDJHJ-UHFFFAOYSA-N |