N-(5-chloro-2-methylphenyl)-2-[3-(4-chlorophenyl)-2,4-dioxo-3,4,6,7,8,9-hexahydro-2H-cyclohepta[4,5]thieno[2,3-d]pyrimidin-1(5H)-yl]acetamide
Chemical Structure Depiction of
N-(5-chloro-2-methylphenyl)-2-[3-(4-chlorophenyl)-2,4-dioxo-3,4,6,7,8,9-hexahydro-2H-cyclohepta[4,5]thieno[2,3-d]pyrimidin-1(5H)-yl]acetamide
N-(5-chloro-2-methylphenyl)-2-[3-(4-chlorophenyl)-2,4-dioxo-3,4,6,7,8,9-hexahydro-2H-cyclohepta[4,5]thieno[2,3-d]pyrimidin-1(5H)-yl]acetamide
Compound characteristics
| Compound ID: | C258-0574 |
| Compound Name: | N-(5-chloro-2-methylphenyl)-2-[3-(4-chlorophenyl)-2,4-dioxo-3,4,6,7,8,9-hexahydro-2H-cyclohepta[4,5]thieno[2,3-d]pyrimidin-1(5H)-yl]acetamide |
| Molecular Weight: | 528.46 |
| Molecular Formula: | C26 H23 Cl2 N3 O3 S |
| Smiles: | Cc1ccc(cc1NC(CN1C(N(C(c2c3CCCCCc3sc12)=O)c1ccc(cc1)[Cl])=O)=O)[Cl] |
| Stereo: | ACHIRAL |
| logP: | 6.0104 |
| logD: | 6.0102 |
| logSw: | -6.2224 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 53.81 |
| InChI Key: | GJRORMCYAOUQRZ-UHFFFAOYSA-N |