2-[3-(3-chloro-4-fluorophenyl)-2,4-dioxo-3,4-dihydrothieno[3,2-d]pyrimidin-1(2H)-yl]-N-[2-(cyclohex-1-en-1-yl)ethyl]acetamide
Chemical Structure Depiction of
2-[3-(3-chloro-4-fluorophenyl)-2,4-dioxo-3,4-dihydrothieno[3,2-d]pyrimidin-1(2H)-yl]-N-[2-(cyclohex-1-en-1-yl)ethyl]acetamide
2-[3-(3-chloro-4-fluorophenyl)-2,4-dioxo-3,4-dihydrothieno[3,2-d]pyrimidin-1(2H)-yl]-N-[2-(cyclohex-1-en-1-yl)ethyl]acetamide
Compound characteristics
| Compound ID: | C241-1117 |
| Compound Name: | 2-[3-(3-chloro-4-fluorophenyl)-2,4-dioxo-3,4-dihydrothieno[3,2-d]pyrimidin-1(2H)-yl]-N-[2-(cyclohex-1-en-1-yl)ethyl]acetamide |
| Molecular Weight: | 461.94 |
| Molecular Formula: | C22 H21 Cl F N3 O3 S |
| Smiles: | C1CCC(CCNC(CN2C(N(C(c3c2ccs3)=O)c2ccc(c(c2)[Cl])F)=O)=O)=CC1 |
| Stereo: | ACHIRAL |
| logP: | 3.6339 |
| logD: | 3.6339 |
| logSw: | -4.0093 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 56.179 |
| InChI Key: | HJPYDWZBYWRLAX-UHFFFAOYSA-N |