N-{3-[ethyl(3-methylphenyl)amino]propyl}-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-{3-[ethyl(3-methylphenyl)amino]propyl}-2-{6-methyl-4-oxo-5-[4-(pyrimidin-2-yl)piperazine-1-sulfonyl]thieno[2,3-d]pyrimidin-3(4H)-yl}acetamide
N-{3-[ethyl(3-methylphenyl)amino]propyl}-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: | C210-0106 |
| Compound Name: | N-{3-[ethyl(3-methylphenyl)amino]propyl}-2-{6-methyl-4-oxo-5-[4-(pyrimidin-2-yl)piperazine-1-sulfonyl]thieno[2,3-d]pyrimidin-3(4H)-yl}acetamide |
| Molecular Weight: | 624.78 |
| Molecular Formula: | C29 H36 N8 O4 S2 |
| Smiles: | CCN(CCCNC(CN1C=Nc2c(C1=O)c(c(C)s2)S(N1CCN(CC1)c1ncccn1)(=O)=O)=O)c1cccc(C)c1 |
| Stereo: | ACHIRAL |
| logP: | 2.6522 |
| logD: | 2.6199 |
| logSw: | -3.0574 |
| Hydrogen bond acceptors count: | 12 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 106.878 |
| InChI Key: | KFDXAJGXJJFSDK-UHFFFAOYSA-N |