2-(3-benzyl-2,4-dioxo-3,4,6,7-tetrahydro-2H-cyclopenta[4,5]thieno[2,3-d]pyrimidin-1(5H)-yl)-N-cyclohexyl-N-methylacetamide
Chemical Structure Depiction of
2-(3-benzyl-2,4-dioxo-3,4,6,7-tetrahydro-2H-cyclopenta[4,5]thieno[2,3-d]pyrimidin-1(5H)-yl)-N-cyclohexyl-N-methylacetamide
2-(3-benzyl-2,4-dioxo-3,4,6,7-tetrahydro-2H-cyclopenta[4,5]thieno[2,3-d]pyrimidin-1(5H)-yl)-N-cyclohexyl-N-methylacetamide
Compound characteristics
| Compound ID: | C258-0456 |
| Compound Name: | 2-(3-benzyl-2,4-dioxo-3,4,6,7-tetrahydro-2H-cyclopenta[4,5]thieno[2,3-d]pyrimidin-1(5H)-yl)-N-cyclohexyl-N-methylacetamide |
| Molecular Weight: | 451.59 |
| Molecular Formula: | C25 H29 N3 O3 S |
| Smiles: | CN(C1CCCCC1)C(CN1C(N(Cc2ccccc2)C(c2c3CCCc3sc12)=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.4827 |
| logD: | 4.4827 |
| logSw: | -4.4637 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 46.951 |
| InChI Key: | YLJBSMYKCVROFF-UHFFFAOYSA-N |