methyl 4-{[7-methyl-5-oxo-2-(phenylcarbamoyl)-5H-[1,3]thiazolo[3,2-a]pyrimidine-3-carbonyl]amino}benzoate
Chemical Structure Depiction of
methyl 4-{[7-methyl-5-oxo-2-(phenylcarbamoyl)-5H-[1,3]thiazolo[3,2-a]pyrimidine-3-carbonyl]amino}benzoate
methyl 4-{[7-methyl-5-oxo-2-(phenylcarbamoyl)-5H-[1,3]thiazolo[3,2-a]pyrimidine-3-carbonyl]amino}benzoate
Compound characteristics
| Compound ID: | D082-0198 |
| Compound Name: | methyl 4-{[7-methyl-5-oxo-2-(phenylcarbamoyl)-5H-[1,3]thiazolo[3,2-a]pyrimidine-3-carbonyl]amino}benzoate |
| Molecular Weight: | 462.48 |
| Molecular Formula: | C23 H18 N4 O5 S |
| Smiles: | CC1=CC(N2C(=C(C(Nc3ccccc3)=O)SC2=N1)C(Nc1ccc(cc1)C(=O)OC)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.9053 |
| logD: | 1.3968 |
| logSw: | -3.5856 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 93.432 |
| InChI Key: | UHFGNZKBZMNBBB-UHFFFAOYSA-N |