methyl 3-{2-[(butan-2-yl)amino]-2-oxoethyl}-5-(4-chlorophenyl)-7-ethyl-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
Chemical Structure Depiction of
methyl 3-{2-[(butan-2-yl)amino]-2-oxoethyl}-5-(4-chlorophenyl)-7-ethyl-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
methyl 3-{2-[(butan-2-yl)amino]-2-oxoethyl}-5-(4-chlorophenyl)-7-ethyl-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
Compound characteristics
| Compound ID: | V020-0638 |
| Compound Name: | methyl 3-{2-[(butan-2-yl)amino]-2-oxoethyl}-5-(4-chlorophenyl)-7-ethyl-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate |
| Molecular Weight: | 447.98 |
| Molecular Formula: | C22 H26 Cl N3 O3 S |
| Smiles: | CCC(C)NC(CC1=CSC2=NC(CC)=C(C(c3ccc(cc3)[Cl])N12)C(=O)OC)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 4.2017 |
| logD: | 4.2002 |
| logSw: | -4.7537 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 57.35 |
| InChI Key: | NCQUGXRIHQWCJI-UHFFFAOYSA-N |