prop-2-en-1-yl 3-{2-[(butan-2-yl)amino]-2-oxoethyl}-5-(4-fluorophenyl)-7-methyl-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
Chemical Structure Depiction of
prop-2-en-1-yl 3-{2-[(butan-2-yl)amino]-2-oxoethyl}-5-(4-fluorophenyl)-7-methyl-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
prop-2-en-1-yl 3-{2-[(butan-2-yl)amino]-2-oxoethyl}-5-(4-fluorophenyl)-7-methyl-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
Compound characteristics
Compound ID: | V020-0517 |
Compound Name: | prop-2-en-1-yl 3-{2-[(butan-2-yl)amino]-2-oxoethyl}-5-(4-fluorophenyl)-7-methyl-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate |
Molecular Weight: | 443.54 |
Molecular Formula: | C23 H26 F N3 O3 S |
Smiles: | CCC(C)NC(CC1=CSC2=NC(C)=C(C(c3ccc(cc3)F)N12)C(=O)OCC=C)=O |
Stereo: | MIXTURE OF STEREOISOMERS |
logP: | 3.6128 |
logD: | 3.6127 |
logSw: | -3.7813 |
Hydrogen bond acceptors count: | 7 |
Hydrogen bond donors count: | 1 |
Polar surface area: | 56.617 |
InChI Key: | PNTITYHMGMDUJU-UHFFFAOYSA-N |