6-methyl-3-{2-[4-(4-nitrophenyl)piperazin-1-yl]-2-oxoethyl}-5-[4-(pyrimidin-2-yl)piperazine-1-sulfonyl]thieno[2,3-d]pyrimidin-4(3H)-one
Chemical Structure Depiction of
6-methyl-3-{2-[4-(4-nitrophenyl)piperazin-1-yl]-2-oxoethyl}-5-[4-(pyrimidin-2-yl)piperazine-1-sulfonyl]thieno[2,3-d]pyrimidin-4(3H)-one
6-methyl-3-{2-[4-(4-nitrophenyl)piperazin-1-yl]-2-oxoethyl}-5-[4-(pyrimidin-2-yl)piperazine-1-sulfonyl]thieno[2,3-d]pyrimidin-4(3H)-one
Compound characteristics
| Compound ID: | C210-0046 |
| Compound Name: | 6-methyl-3-{2-[4-(4-nitrophenyl)piperazin-1-yl]-2-oxoethyl}-5-[4-(pyrimidin-2-yl)piperazine-1-sulfonyl]thieno[2,3-d]pyrimidin-4(3H)-one |
| Molecular Weight: | 639.71 |
| Molecular Formula: | C27 H29 N9 O6 S2 |
| Smiles: | Cc1c(c2C(N(CC(N3CCN(CC3)c3ccc(cc3)[N+]([O-])=O)=O)C=Nc2s1)=O)S(N1CCN(CC1)c1ncccn1)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 1.7167 |
| logD: | 1.7166 |
| logSw: | -2.4011 |
| Hydrogen bond acceptors count: | 16 |
| Polar surface area: | 132.609 |
| InChI Key: | RFHSIHAEQUMBBM-UHFFFAOYSA-N |