2-[3-(4-chlorophenyl)-2,4-dioxo-3,4,6,7,8,9-hexahydro-2H-cyclohepta[4,5]thieno[2,3-d]pyrimidin-1(5H)-yl]-N-[2-(cyclohex-1-en-1-yl)ethyl]acetamide
Chemical Structure Depiction of
2-[3-(4-chlorophenyl)-2,4-dioxo-3,4,6,7,8,9-hexahydro-2H-cyclohepta[4,5]thieno[2,3-d]pyrimidin-1(5H)-yl]-N-[2-(cyclohex-1-en-1-yl)ethyl]acetamide
2-[3-(4-chlorophenyl)-2,4-dioxo-3,4,6,7,8,9-hexahydro-2H-cyclohepta[4,5]thieno[2,3-d]pyrimidin-1(5H)-yl]-N-[2-(cyclohex-1-en-1-yl)ethyl]acetamide
Compound characteristics
Compound ID: | C258-0562 |
Compound Name: | 2-[3-(4-chlorophenyl)-2,4-dioxo-3,4,6,7,8,9-hexahydro-2H-cyclohepta[4,5]thieno[2,3-d]pyrimidin-1(5H)-yl]-N-[2-(cyclohex-1-en-1-yl)ethyl]acetamide |
Molecular Weight: | 512.07 |
Molecular Formula: | C27 H30 Cl N3 O3 S |
Smiles: | C1CCc2c3C(N(C(N(CC(NCCC4CCCCC=4)=O)c3sc2CC1)=O)c1ccc(cc1)[Cl])=O |
Stereo: | ACHIRAL |
logP: | 5.2761 |
logD: | 5.2761 |
logSw: | -6.1783 |
Hydrogen bond acceptors count: | 6 |
Hydrogen bond donors count: | 1 |
Polar surface area: | 55.864 |
InChI Key: | DEUKLXGAEOJMOT-UHFFFAOYSA-N |