methyl 4-({3-[(2,5-dimethoxyphenyl)carbamoyl]-7-methyl-5-oxo-5H-[1,3]thiazolo[3,2-a]pyrimidine-2-carbonyl}amino)benzoate
Chemical Structure Depiction of
methyl 4-({3-[(2,5-dimethoxyphenyl)carbamoyl]-7-methyl-5-oxo-5H-[1,3]thiazolo[3,2-a]pyrimidine-2-carbonyl}amino)benzoate
methyl 4-({3-[(2,5-dimethoxyphenyl)carbamoyl]-7-methyl-5-oxo-5H-[1,3]thiazolo[3,2-a]pyrimidine-2-carbonyl}amino)benzoate
Compound characteristics
| Compound ID: | D082-0068 |
| Compound Name: | methyl 4-({3-[(2,5-dimethoxyphenyl)carbamoyl]-7-methyl-5-oxo-5H-[1,3]thiazolo[3,2-a]pyrimidine-2-carbonyl}amino)benzoate |
| Molecular Weight: | 522.54 |
| Molecular Formula: | C25 H22 N4 O7 S |
| Smiles: | CC1=CC(N2C(=C(C(Nc3ccc(cc3)C(=O)OC)=O)SC2=N1)C(Nc1cc(ccc1OC)OC)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.9787 |
| logD: | 0.746 |
| logSw: | -3.6292 |
| Hydrogen bond acceptors count: | 13 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 107.908 |
| InChI Key: | LNTVWCXTQZZVQE-UHFFFAOYSA-N |