2-{[3-(4-bromophenyl)-4-oxo-3,4-dihydrothieno[3,2-d]pyrimidin-2-yl]sulfanyl}-N-[2-(cyclohex-1-en-1-yl)ethyl]acetamide
Chemical Structure Depiction of
2-{[3-(4-bromophenyl)-4-oxo-3,4-dihydrothieno[3,2-d]pyrimidin-2-yl]sulfanyl}-N-[2-(cyclohex-1-en-1-yl)ethyl]acetamide
2-{[3-(4-bromophenyl)-4-oxo-3,4-dihydrothieno[3,2-d]pyrimidin-2-yl]sulfanyl}-N-[2-(cyclohex-1-en-1-yl)ethyl]acetamide
Compound characteristics
| Compound ID: | K292-0439 |
| Compound Name: | 2-{[3-(4-bromophenyl)-4-oxo-3,4-dihydrothieno[3,2-d]pyrimidin-2-yl]sulfanyl}-N-[2-(cyclohex-1-en-1-yl)ethyl]acetamide |
| Molecular Weight: | 504.47 |
| Molecular Formula: | C22 H22 Br N3 O2 S2 |
| Smiles: | C1CCC(CCNC(CSC2=Nc3ccsc3C(N2c2ccc(cc2)[Br])=O)=O)=CC1 |
| Stereo: | ACHIRAL |
| logP: | 4.5714 |
| logD: | 4.5714 |
| logSw: | -4.3919 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 50.683 |
| InChI Key: | DNUAAFXCBAGHHM-UHFFFAOYSA-N |