methyl 7-methyl-5-(3-nitrophenyl)-3-(2-oxo-2-{[(pyridin-4-yl)methyl]amino}ethyl)-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
Chemical Structure Depiction of
methyl 7-methyl-5-(3-nitrophenyl)-3-(2-oxo-2-{[(pyridin-4-yl)methyl]amino}ethyl)-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
methyl 7-methyl-5-(3-nitrophenyl)-3-(2-oxo-2-{[(pyridin-4-yl)methyl]amino}ethyl)-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
Compound characteristics
| Compound ID: | V019-9963 |
| Compound Name: | methyl 7-methyl-5-(3-nitrophenyl)-3-(2-oxo-2-{[(pyridin-4-yl)methyl]amino}ethyl)-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate |
| Molecular Weight: | 479.51 |
| Molecular Formula: | C23 H21 N5 O5 S |
| Salt: | not_available |
| Smiles: | CC1=C(C(c2cccc(c2)[N+]([O-])=O)N2C(CC(NCc3ccncc3)=O)=CSC2=N1)C(=O)OC |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.1119 |
| logD: | 2.1085 |
| logSw: | -2.5586 |
| Hydrogen bond acceptors count: | 12 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 99.84 |
| InChI Key: | UWUCLSFDKMRPRU-OAQYLSRUSA-N |