methyl 7-ethyl-5-(3-nitrophenyl)-3-(2-oxo-2-{[2-(pyridin-2-yl)ethyl]amino}ethyl)-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
Chemical Structure Depiction of
methyl 7-ethyl-5-(3-nitrophenyl)-3-(2-oxo-2-{[2-(pyridin-2-yl)ethyl]amino}ethyl)-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
methyl 7-ethyl-5-(3-nitrophenyl)-3-(2-oxo-2-{[2-(pyridin-2-yl)ethyl]amino}ethyl)-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
Compound characteristics
| Compound ID: | V020-0342 |
| Compound Name: | methyl 7-ethyl-5-(3-nitrophenyl)-3-(2-oxo-2-{[2-(pyridin-2-yl)ethyl]amino}ethyl)-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate |
| Molecular Weight: | 507.57 |
| Molecular Formula: | C25 H25 N5 O5 S |
| Salt: | not_available |
| Smiles: | CCC1=C(C(c2cccc(c2)[N+]([O-])=O)N2C(CC(NCCc3ccccn3)=O)=CSC2=N1)C(=O)OC |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.8033 |
| logD: | 2.7984 |
| logSw: | -3.2761 |
| Hydrogen bond acceptors count: | 12 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 100.403 |
| InChI Key: | GJSLMVPWLFWQJL-HSZRJFAPSA-N |