methyl 7-ethyl-3-{2-[(3-methylbutyl)amino]-2-oxoethyl}-5-(3-methylphenyl)-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
Chemical Structure Depiction of
methyl 7-ethyl-3-{2-[(3-methylbutyl)amino]-2-oxoethyl}-5-(3-methylphenyl)-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
methyl 7-ethyl-3-{2-[(3-methylbutyl)amino]-2-oxoethyl}-5-(3-methylphenyl)-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
Compound characteristics
| Compound ID: | V001-5466 |
| Compound Name: | methyl 7-ethyl-3-{2-[(3-methylbutyl)amino]-2-oxoethyl}-5-(3-methylphenyl)-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate |
| Molecular Weight: | 441.59 |
| Molecular Formula: | C24 H31 N3 O3 S |
| Smiles: | CCC1=C(C(c2cccc(C)c2)N2C(CC(NCCC(C)C)=O)=CSC2=N1)C(=O)OC |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.4699 |
| logD: | 4.4685 |
| logSw: | -4.2723 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 57.75 |
| InChI Key: | JTGQXNWBHOVVDV-JOCHJYFZSA-N |