1-[2-(azepan-1-yl)-2-oxoethyl]-3-(4-ethoxyphenyl)-5,6-dimethylthieno[2,3-d]pyrimidine-2,4(1H,3H)-dione
Chemical Structure Depiction of
1-[2-(azepan-1-yl)-2-oxoethyl]-3-(4-ethoxyphenyl)-5,6-dimethylthieno[2,3-d]pyrimidine-2,4(1H,3H)-dione
1-[2-(azepan-1-yl)-2-oxoethyl]-3-(4-ethoxyphenyl)-5,6-dimethylthieno[2,3-d]pyrimidine-2,4(1H,3H)-dione
Compound characteristics
| Compound ID: | C242-0063 |
| Compound Name: | 1-[2-(azepan-1-yl)-2-oxoethyl]-3-(4-ethoxyphenyl)-5,6-dimethylthieno[2,3-d]pyrimidine-2,4(1H,3H)-dione |
| Molecular Weight: | 455.58 |
| Molecular Formula: | C24 H29 N3 O4 S |
| Smiles: | CCOc1ccc(cc1)N1C(c2c(C)c(C)sc2N(CC(N2CCCCCC2)=O)C1=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.7982 |
| logD: | 3.7982 |
| logSw: | -3.9486 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 54.954 |
| InChI Key: | IWYAMPNEWZVNLN-UHFFFAOYSA-N |