methyl 3-{2-[(2-methoxyethyl)amino]-2-oxoethyl}-7-methyl-5-(4-nitrophenyl)-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
Chemical Structure Depiction of
methyl 3-{2-[(2-methoxyethyl)amino]-2-oxoethyl}-7-methyl-5-(4-nitrophenyl)-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
methyl 3-{2-[(2-methoxyethyl)amino]-2-oxoethyl}-7-methyl-5-(4-nitrophenyl)-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
Compound characteristics
| Compound ID: | V020-0476 |
| Compound Name: | methyl 3-{2-[(2-methoxyethyl)amino]-2-oxoethyl}-7-methyl-5-(4-nitrophenyl)-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate |
| Molecular Weight: | 446.48 |
| Molecular Formula: | C20 H22 N4 O6 S |
| Smiles: | CC1=C(C(c2ccc(cc2)[N+]([O-])=O)N2C(CC(NCCOC)=O)=CSC2=N1)C(=O)OC |
| Stereo: | RACEMIC MIXTURE |
| logP: | 1.8558 |
| logD: | 1.8551 |
| logSw: | -2.3909 |
| Hydrogen bond acceptors count: | 12 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 98.867 |
| InChI Key: | AGDAVEJWAWMZNT-GOSISDBHSA-N |