N-(3-chloro-4-methylphenyl)-2-{5-methyl-6-[4-(4-nitrophenyl)piperazine-1-carbonyl]-4-oxothieno[2,3-d]pyrimidin-3(4H)-yl}acetamide
Chemical Structure Depiction of
N-(3-chloro-4-methylphenyl)-2-{5-methyl-6-[4-(4-nitrophenyl)piperazine-1-carbonyl]-4-oxothieno[2,3-d]pyrimidin-3(4H)-yl}acetamide
N-(3-chloro-4-methylphenyl)-2-{5-methyl-6-[4-(4-nitrophenyl)piperazine-1-carbonyl]-4-oxothieno[2,3-d]pyrimidin-3(4H)-yl}acetamide
Compound characteristics
| Compound ID: | K892-0292 |
| Compound Name: | N-(3-chloro-4-methylphenyl)-2-{5-methyl-6-[4-(4-nitrophenyl)piperazine-1-carbonyl]-4-oxothieno[2,3-d]pyrimidin-3(4H)-yl}acetamide |
| Molecular Weight: | 581.05 |
| Molecular Formula: | C27 H25 Cl N6 O5 S |
| Smiles: | Cc1ccc(cc1[Cl])NC(CN1C=Nc2c(C1=O)c(C)c(C(N1CCN(CC1)c1ccc(cc1)[N+]([O-])=O)=O)s2)=O |
| Stereo: | ACHIRAL |
| logP: | 4.6594 |
| logD: | 4.6592 |
| logSw: | -5.0547 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 102.681 |
| InChI Key: | BRBJHDPSZGNKJB-UHFFFAOYSA-N |