N-[2-(cyclohex-1-en-1-yl)ethyl]-2-{3-[(4-fluorophenyl)methyl]-2,4-dioxo-3,4-dihydro[1]benzothieno[3,2-d]pyrimidin-1(2H)-yl}acetamide
Chemical Structure Depiction of
N-[2-(cyclohex-1-en-1-yl)ethyl]-2-{3-[(4-fluorophenyl)methyl]-2,4-dioxo-3,4-dihydro[1]benzothieno[3,2-d]pyrimidin-1(2H)-yl}acetamide
N-[2-(cyclohex-1-en-1-yl)ethyl]-2-{3-[(4-fluorophenyl)methyl]-2,4-dioxo-3,4-dihydro[1]benzothieno[3,2-d]pyrimidin-1(2H)-yl}acetamide
Compound characteristics
| Compound ID: | C688-1462 |
| Compound Name: | N-[2-(cyclohex-1-en-1-yl)ethyl]-2-{3-[(4-fluorophenyl)methyl]-2,4-dioxo-3,4-dihydro[1]benzothieno[3,2-d]pyrimidin-1(2H)-yl}acetamide |
| Molecular Weight: | 491.58 |
| Molecular Formula: | C27 H26 F N3 O3 S |
| Smiles: | C1CCC(CCNC(CN2C(N(Cc3ccc(cc3)F)C(c3c2c2ccccc2s3)=O)=O)=O)=CC1 |
| Stereo: | ACHIRAL |
| logP: | 4.9567 |
| logD: | 4.9567 |
| logSw: | -4.9116 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 57.676 |
| InChI Key: | RPESXMNLTMXRMJ-UHFFFAOYSA-N |