N-(butan-2-yl)-2-[3-(4-ethoxyphenyl)-2,4-dioxo-3,4,6,7,8,9-hexahydro-2H-cyclohepta[4,5]thieno[2,3-d]pyrimidin-1(5H)-yl]acetamide
Chemical Structure Depiction of
N-(butan-2-yl)-2-[3-(4-ethoxyphenyl)-2,4-dioxo-3,4,6,7,8,9-hexahydro-2H-cyclohepta[4,5]thieno[2,3-d]pyrimidin-1(5H)-yl]acetamide
N-(butan-2-yl)-2-[3-(4-ethoxyphenyl)-2,4-dioxo-3,4,6,7,8,9-hexahydro-2H-cyclohepta[4,5]thieno[2,3-d]pyrimidin-1(5H)-yl]acetamide
Compound characteristics
| Compound ID: | C258-0587 |
| Compound Name: | N-(butan-2-yl)-2-[3-(4-ethoxyphenyl)-2,4-dioxo-3,4,6,7,8,9-hexahydro-2H-cyclohepta[4,5]thieno[2,3-d]pyrimidin-1(5H)-yl]acetamide |
| Molecular Weight: | 469.6 |
| Molecular Formula: | C25 H31 N3 O4 S |
| Smiles: | CCC(C)NC(CN1C(N(C(c2c3CCCCCc3sc12)=O)c1ccc(cc1)OCC)=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.3777 |
| logD: | 4.3777 |
| logSw: | -4.2861 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 62.667 |
| InChI Key: | JVSRAUJWPXHYMF-INIZCTEOSA-N |