prop-2-en-1-yl 7-methyl-5-(3-nitrophenyl)-3-(2-oxo-2-{[(pyridin-2-yl)methyl]amino}ethyl)-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
Chemical Structure Depiction of
prop-2-en-1-yl 7-methyl-5-(3-nitrophenyl)-3-(2-oxo-2-{[(pyridin-2-yl)methyl]amino}ethyl)-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
prop-2-en-1-yl 7-methyl-5-(3-nitrophenyl)-3-(2-oxo-2-{[(pyridin-2-yl)methyl]amino}ethyl)-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
Compound characteristics
| Compound ID: | V020-0668 |
| Compound Name: | prop-2-en-1-yl 7-methyl-5-(3-nitrophenyl)-3-(2-oxo-2-{[(pyridin-2-yl)methyl]amino}ethyl)-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate |
| Molecular Weight: | 505.55 |
| Molecular Formula: | C25 H23 N5 O5 S |
| Salt: | not_available |
| Smiles: | CC1=C(C(c2cccc(c2)[N+]([O-])=O)N2C(CC(NCc3ccccn3)=O)=CSC2=N1)C(=O)OCC=C |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.0035 |
| logD: | 3.0034 |
| logSw: | -3.3249 |
| Hydrogen bond acceptors count: | 12 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 99.829 |
| InChI Key: | PIGJFZBUOWRSRP-HSZRJFAPSA-N |