2-[3-(3-chlorophenyl)-2,4-dioxo-3,4-dihydro[1]benzothieno[3,2-d]pyrimidin-1(2H)-yl]-N-[2-(cyclohex-1-en-1-yl)ethyl]acetamide
Chemical Structure Depiction of
2-[3-(3-chlorophenyl)-2,4-dioxo-3,4-dihydro[1]benzothieno[3,2-d]pyrimidin-1(2H)-yl]-N-[2-(cyclohex-1-en-1-yl)ethyl]acetamide
2-[3-(3-chlorophenyl)-2,4-dioxo-3,4-dihydro[1]benzothieno[3,2-d]pyrimidin-1(2H)-yl]-N-[2-(cyclohex-1-en-1-yl)ethyl]acetamide
Compound characteristics
| Compound ID: | C688-1309 |
| Compound Name: | 2-[3-(3-chlorophenyl)-2,4-dioxo-3,4-dihydro[1]benzothieno[3,2-d]pyrimidin-1(2H)-yl]-N-[2-(cyclohex-1-en-1-yl)ethyl]acetamide |
| Molecular Weight: | 494.01 |
| Molecular Formula: | C26 H24 Cl N3 O3 S |
| Smiles: | C1CCC(CCNC(CN2C(N(C(c3c2c2ccccc2s3)=O)c2cccc(c2)[Cl])=O)=O)=CC1 |
| Stereo: | ACHIRAL |
| logP: | 4.8647 |
| logD: | 4.8647 |
| logSw: | -4.8627 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 57.064 |
| InChI Key: | YWSXKLYCOORZGL-UHFFFAOYSA-N |