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
Available: 131 mg
Amount:
mg
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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
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