benzyl 7-methyl-3-(2-oxo-2-{[(pyridin-4-yl)methyl]amino}ethyl)-5-(thiophen-2-yl)-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
Chemical Structure Depiction of
benzyl 7-methyl-3-(2-oxo-2-{[(pyridin-4-yl)methyl]amino}ethyl)-5-(thiophen-2-yl)-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
benzyl 7-methyl-3-(2-oxo-2-{[(pyridin-4-yl)methyl]amino}ethyl)-5-(thiophen-2-yl)-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
Compound characteristics
| Compound ID: | V019-5234 |
| Compound Name: | benzyl 7-methyl-3-(2-oxo-2-{[(pyridin-4-yl)methyl]amino}ethyl)-5-(thiophen-2-yl)-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate |
| Molecular Weight: | 516.64 |
| Molecular Formula: | C27 H24 N4 O3 S2 |
| Salt: | not_available |
| Smiles: | CC1=C(C(c2cccs2)N2C(CC(NCc3ccncc3)=O)=CSC2=N1)C(=O)OCc1ccccc1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.3781 |
| logD: | 3.3747 |
| logSw: | -3.4916 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 67.161 |
| InChI Key: | HFLJBVSRNZPKOL-RUZDIDTESA-N |