methyl 4-{[3-(benzylcarbamoyl)-7-methyl-5-oxo-5H-[1,3]thiazolo[3,2-a]pyrimidine-2-carbonyl]amino}benzoate
Chemical Structure Depiction of
methyl 4-{[3-(benzylcarbamoyl)-7-methyl-5-oxo-5H-[1,3]thiazolo[3,2-a]pyrimidine-2-carbonyl]amino}benzoate
methyl 4-{[3-(benzylcarbamoyl)-7-methyl-5-oxo-5H-[1,3]thiazolo[3,2-a]pyrimidine-2-carbonyl]amino}benzoate
Compound characteristics
| Compound ID: | D082-0200 |
| Compound Name: | methyl 4-{[3-(benzylcarbamoyl)-7-methyl-5-oxo-5H-[1,3]thiazolo[3,2-a]pyrimidine-2-carbonyl]amino}benzoate |
| Molecular Weight: | 476.51 |
| Molecular Formula: | C24 H20 N4 O5 S |
| Smiles: | CC1=CC(N2C(=C(C(Nc3ccc(cc3)C(=O)OC)=O)SC2=N1)C(NCc1ccccc1)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.6689 |
| logD: | 2.5869 |
| logSw: | -3.17 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 94.754 |
| InChI Key: | BHCMFOLLRSWIMB-UHFFFAOYSA-N |