N-benzyl-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-ethylacetamide
Chemical Structure Depiction of
N-benzyl-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-ethylacetamide
N-benzyl-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-ethylacetamide
Compound characteristics
Compound ID: | C258-0570 |
Compound Name: | N-benzyl-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-ethylacetamide |
Molecular Weight: | 522.07 |
Molecular Formula: | C28 H28 Cl N3 O3 S |
Smiles: | CCN(Cc1ccccc1)C(CN1C(N(C(c2c3CCCCCc3sc12)=O)c1ccc(cc1)[Cl])=O)=O |
Stereo: | ACHIRAL |
logP: | 5.4524 |
logD: | 5.4524 |
logSw: | -5.9532 |
Hydrogen bond acceptors count: | 6 |
Polar surface area: | 47.039 |
InChI Key: | PWCWCKKLFLXTQQ-UHFFFAOYSA-N |