prop-2-en-1-yl 3-{2-[(2-methoxyethyl)amino]-2-oxoethyl}-7-methyl-5-(3-nitrophenyl)-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
Chemical Structure Depiction of
prop-2-en-1-yl 3-{2-[(2-methoxyethyl)amino]-2-oxoethyl}-7-methyl-5-(3-nitrophenyl)-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
prop-2-en-1-yl 3-{2-[(2-methoxyethyl)amino]-2-oxoethyl}-7-methyl-5-(3-nitrophenyl)-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
Compound characteristics
| Compound ID: | V024-9694 |
| Compound Name: | prop-2-en-1-yl 3-{2-[(2-methoxyethyl)amino]-2-oxoethyl}-7-methyl-5-(3-nitrophenyl)-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate |
| Molecular Weight: | 472.52 |
| Molecular Formula: | C22 H24 N4 O6 S |
| Smiles: | CC1=C(C(c2cccc(c2)[N+]([O-])=O)N2C(CC(NCCOC)=O)=CSC2=N1)C(=O)OCC=C |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.2474 |
| logD: | 2.2473 |
| logSw: | -2.8382 |
| Hydrogen bond acceptors count: | 12 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 98.741 |
| InChI Key: | NTQPEHPMEJBIRG-HXUWFJFHSA-N |