N-benzyl-2-[3-(3-chloro-4-fluorophenyl)-2,4-dioxo-3,4-dihydro[1]benzothieno[3,2-d]pyrimidin-1(2H)-yl]-N-ethylacetamide
Chemical Structure Depiction of
N-benzyl-2-[3-(3-chloro-4-fluorophenyl)-2,4-dioxo-3,4-dihydro[1]benzothieno[3,2-d]pyrimidin-1(2H)-yl]-N-ethylacetamide
N-benzyl-2-[3-(3-chloro-4-fluorophenyl)-2,4-dioxo-3,4-dihydro[1]benzothieno[3,2-d]pyrimidin-1(2H)-yl]-N-ethylacetamide
Compound characteristics
| Compound ID: | C200-3988 |
| Compound Name: | N-benzyl-2-[3-(3-chloro-4-fluorophenyl)-2,4-dioxo-3,4-dihydro[1]benzothieno[3,2-d]pyrimidin-1(2H)-yl]-N-ethylacetamide |
| Molecular Weight: | 522 |
| Molecular Formula: | C27 H21 Cl F N3 O3 S |
| Smiles: | CCN(Cc1ccccc1)C(CN1C(N(C(c2c1c1ccccc1s2)=O)c1ccc(c(c1)[Cl])F)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.9964 |
| logD: | 4.9964 |
| logSw: | -5.1916 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 48.239 |
| InChI Key: | YDESAEZTFZAJDV-UHFFFAOYSA-N |