N-(2-methyl-3-nitrophenyl)-2-{6-methyl-4-oxo-5-[4-(pyrimidin-2-yl)piperazine-1-sulfonyl]thieno[2,3-d]pyrimidin-3(4H)-yl}acetamide
Chemical Structure Depiction of
N-(2-methyl-3-nitrophenyl)-2-{6-methyl-4-oxo-5-[4-(pyrimidin-2-yl)piperazine-1-sulfonyl]thieno[2,3-d]pyrimidin-3(4H)-yl}acetamide
N-(2-methyl-3-nitrophenyl)-2-{6-methyl-4-oxo-5-[4-(pyrimidin-2-yl)piperazine-1-sulfonyl]thieno[2,3-d]pyrimidin-3(4H)-yl}acetamide
Compound characteristics
| Compound ID: | C066-2375 |
| Compound Name: | N-(2-methyl-3-nitrophenyl)-2-{6-methyl-4-oxo-5-[4-(pyrimidin-2-yl)piperazine-1-sulfonyl]thieno[2,3-d]pyrimidin-3(4H)-yl}acetamide |
| Molecular Weight: | 584.63 |
| Molecular Formula: | C24 H24 N8 O6 S2 |
| Smiles: | Cc1c(cccc1[N+]([O-])=O)NC(CN1C=Nc2c(C1=O)c(c(C)s2)S(N1CCN(CC1)c1ncccn1)(=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.022 |
| logD: | 2.0211 |
| logSw: | -2.7371 |
| Hydrogen bond acceptors count: | 16 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 135.107 |
| InChI Key: | HRUZODNFRNPDBD-UHFFFAOYSA-N |