2-[3-(3,4-dichlorophenyl)-2,4-dioxo-3,4,5,6,7,8-hexahydro[1]benzothieno[2,3-d]pyrimidin-1(2H)-yl]-N,N-diethylacetamide
Chemical Structure Depiction of
2-[3-(3,4-dichlorophenyl)-2,4-dioxo-3,4,5,6,7,8-hexahydro[1]benzothieno[2,3-d]pyrimidin-1(2H)-yl]-N,N-diethylacetamide
2-[3-(3,4-dichlorophenyl)-2,4-dioxo-3,4,5,6,7,8-hexahydro[1]benzothieno[2,3-d]pyrimidin-1(2H)-yl]-N,N-diethylacetamide
Compound characteristics
| Compound ID: | C258-0714 |
| Compound Name: | 2-[3-(3,4-dichlorophenyl)-2,4-dioxo-3,4,5,6,7,8-hexahydro[1]benzothieno[2,3-d]pyrimidin-1(2H)-yl]-N,N-diethylacetamide |
| Molecular Weight: | 480.41 |
| Molecular Formula: | C22 H23 Cl2 N3 O3 S |
| Smiles: | CCN(CC)C(CN1C(N(C(c2c3CCCCc3sc12)=O)c1ccc(c(c1)[Cl])[Cl])=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.6105 |
| logD: | 4.6104 |
| logSw: | -4.999 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 46.704 |
| InChI Key: | NHKCXFKFZYAQPQ-UHFFFAOYSA-N |