N-benzyl-2-[3-(4-chlorophenyl)-2,4-dioxo-3,4,5,6,7,8-hexahydro[1]benzothieno[2,3-d]pyrimidin-1(2H)-yl]-N-ethylacetamide
Chemical Structure Depiction of
N-benzyl-2-[3-(4-chlorophenyl)-2,4-dioxo-3,4,5,6,7,8-hexahydro[1]benzothieno[2,3-d]pyrimidin-1(2H)-yl]-N-ethylacetamide
N-benzyl-2-[3-(4-chlorophenyl)-2,4-dioxo-3,4,5,6,7,8-hexahydro[1]benzothieno[2,3-d]pyrimidin-1(2H)-yl]-N-ethylacetamide
Compound characteristics
Compound ID: | C258-0664 |
Compound Name: | N-benzyl-2-[3-(4-chlorophenyl)-2,4-dioxo-3,4,5,6,7,8-hexahydro[1]benzothieno[2,3-d]pyrimidin-1(2H)-yl]-N-ethylacetamide |
Molecular Weight: | 508.04 |
Molecular Formula: | C27 H26 Cl N3 O3 S |
Smiles: | CCN(Cc1ccccc1)C(CN1C(N(C(c2c3CCCCc3sc12)=O)c1ccc(cc1)[Cl])=O)=O |
Stereo: | ACHIRAL |
logP: | 4.9565 |
logD: | 4.9565 |
logSw: | -5.2053 |
Hydrogen bond acceptors count: | 6 |
Polar surface area: | 46.708 |
InChI Key: | GOFGUAXPZGPGHD-UHFFFAOYSA-N |