methyl 4-({3-[(4-chloro-2-methylphenyl)carbamoyl]-7-methyl-5-oxo-5H-[1,3]thiazolo[3,2-a]pyrimidine-2-carbonyl}amino)benzoate
Chemical Structure Depiction of
methyl 4-({3-[(4-chloro-2-methylphenyl)carbamoyl]-7-methyl-5-oxo-5H-[1,3]thiazolo[3,2-a]pyrimidine-2-carbonyl}amino)benzoate
methyl 4-({3-[(4-chloro-2-methylphenyl)carbamoyl]-7-methyl-5-oxo-5H-[1,3]thiazolo[3,2-a]pyrimidine-2-carbonyl}amino)benzoate
Compound characteristics
| Compound ID: | D082-0065 |
| Compound Name: | methyl 4-({3-[(4-chloro-2-methylphenyl)carbamoyl]-7-methyl-5-oxo-5H-[1,3]thiazolo[3,2-a]pyrimidine-2-carbonyl}amino)benzoate |
| Molecular Weight: | 510.95 |
| Molecular Formula: | C24 H19 Cl N4 O5 S |
| Smiles: | CC1=CC(N2C(=C(C(Nc3ccc(cc3)C(=O)OC)=O)SC2=N1)C(Nc1ccc(cc1C)[Cl])=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.156 |
| logD: | 2.3086 |
| logSw: | -4.5488 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 92.734 |
| InChI Key: | HLNCBXYZBRAOMM-UHFFFAOYSA-N |