2-[5,7-dioxo-2-(piperidin-1-yl)-6-(prop-2-en-1-yl)-6,7-dihydro[1,3]thiazolo[4,5-d]pyrimidin-4(5H)-yl]-N-[(3-methoxyphenyl)methyl]acetamide
Chemical Structure Depiction of
2-[5,7-dioxo-2-(piperidin-1-yl)-6-(prop-2-en-1-yl)-6,7-dihydro[1,3]thiazolo[4,5-d]pyrimidin-4(5H)-yl]-N-[(3-methoxyphenyl)methyl]acetamide
2-[5,7-dioxo-2-(piperidin-1-yl)-6-(prop-2-en-1-yl)-6,7-dihydro[1,3]thiazolo[4,5-d]pyrimidin-4(5H)-yl]-N-[(3-methoxyphenyl)methyl]acetamide
Compound characteristics
Compound ID: | L862-0499 |
Compound Name: | 2-[5,7-dioxo-2-(piperidin-1-yl)-6-(prop-2-en-1-yl)-6,7-dihydro[1,3]thiazolo[4,5-d]pyrimidin-4(5H)-yl]-N-[(3-methoxyphenyl)methyl]acetamide |
Molecular Weight: | 469.56 |
Molecular Formula: | C23 H27 N5 O4 S |
Smiles: | COc1cccc(CNC(CN2C(N(CC=C)C(c3c2nc(N2CCCCC2)s3)=O)=O)=O)c1 |
Stereo: | ACHIRAL |
logP: | 3.6558 |
logD: | 3.6558 |
logSw: | -3.8888 |
Hydrogen bond acceptors count: | 8 |
Hydrogen bond donors count: | 1 |
Polar surface area: | 78.088 |
InChI Key: | UCNMRGNSWYJAJD-UHFFFAOYSA-N |