N-butyl-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-butyl-2-{6-methyl-4-oxo-5-[4-(pyrimidin-2-yl)piperazine-1-sulfonyl]thieno[2,3-d]pyrimidin-3(4H)-yl}acetamide
N-butyl-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: | C210-0060 |
| Compound Name: | N-butyl-2-{6-methyl-4-oxo-5-[4-(pyrimidin-2-yl)piperazine-1-sulfonyl]thieno[2,3-d]pyrimidin-3(4H)-yl}acetamide |
| Molecular Weight: | 505.62 |
| Molecular Formula: | C21 H27 N7 O4 S2 |
| Smiles: | CCCCNC(CN1C=Nc2c(C1=O)c(c(C)s2)S(N1CCN(CC1)c1ncccn1)(=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 1.3159 |
| logD: | 1.3159 |
| logSw: | -2.1739 |
| Hydrogen bond acceptors count: | 12 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 104.159 |
| InChI Key: | KJTVRLHQEWIRKL-UHFFFAOYSA-N |