methyl 2-{[3-(2-chlorophenyl)-5-oxo-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carbonyl]amino}benzoate
Chemical Structure Depiction of
methyl 2-{[3-(2-chlorophenyl)-5-oxo-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carbonyl]amino}benzoate
methyl 2-{[3-(2-chlorophenyl)-5-oxo-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carbonyl]amino}benzoate
Compound characteristics
| Compound ID: | D358-1711 |
| Compound Name: | methyl 2-{[3-(2-chlorophenyl)-5-oxo-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carbonyl]amino}benzoate |
| Molecular Weight: | 439.88 |
| Molecular Formula: | C21 H14 Cl N3 O4 S |
| Smiles: | COC(c1ccccc1NC(C1=CN=C2N(C(=CS2)c2ccccc2[Cl])C1=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.4967 |
| logD: | -0.568 |
| logSw: | -3.8815 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 68.812 |
| InChI Key: | VRQAIDHUKSVMGH-UHFFFAOYSA-N |