methyl 7-ethyl-3-{2-[ethyl(methyl)amino]-2-oxoethyl}-5-(3-nitrophenyl)-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
Chemical Structure Depiction of
methyl 7-ethyl-3-{2-[ethyl(methyl)amino]-2-oxoethyl}-5-(3-nitrophenyl)-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
methyl 7-ethyl-3-{2-[ethyl(methyl)amino]-2-oxoethyl}-5-(3-nitrophenyl)-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
Compound characteristics
| Compound ID: | V020-0389 |
| Compound Name: | methyl 7-ethyl-3-{2-[ethyl(methyl)amino]-2-oxoethyl}-5-(3-nitrophenyl)-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate |
| Molecular Weight: | 444.51 |
| Molecular Formula: | C21 H24 N4 O5 S |
| Smiles: | CCC1=C(C(c2cccc(c2)[N+]([O-])=O)N2C(CC(N(C)CC)=O)=CSC2=N1)C(=O)OC |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.9695 |
| logD: | 2.968 |
| logSw: | -3.3008 |
| Hydrogen bond acceptors count: | 11 |
| Polar surface area: | 82.438 |
| InChI Key: | XWEHTOPNPDOYHF-LJQANCHMSA-N |