N-(butan-2-yl)-2-[3-(3,4-dimethylphenyl)-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-(3,4-dimethylphenyl)-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-(3,4-dimethylphenyl)-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: | C258-0520 |
| Compound Name: | N-(butan-2-yl)-2-[3-(3,4-dimethylphenyl)-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: | 453.6 |
| Molecular Formula: | C25 H31 N3 O3 S |
| Smiles: | CCC(C)NC(CN1C(N(C(c2c3CCCCCc3sc12)=O)c1ccc(C)c(C)c1)=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 5.1413 |
| logD: | 5.1413 |
| logSw: | -4.9013 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 55.543 |
| InChI Key: | VCQGVHGZWCGVDH-KRWDZBQOSA-N |