3-{2-[4-(2,5-dimethylphenyl)piperazin-1-yl]-2-oxoethyl}-6-methyl-5-[4-(pyrimidin-2-yl)piperazine-1-sulfonyl]thieno[2,3-d]pyrimidin-4(3H)-one
Chemical Structure Depiction of
3-{2-[4-(2,5-dimethylphenyl)piperazin-1-yl]-2-oxoethyl}-6-methyl-5-[4-(pyrimidin-2-yl)piperazine-1-sulfonyl]thieno[2,3-d]pyrimidin-4(3H)-one
3-{2-[4-(2,5-dimethylphenyl)piperazin-1-yl]-2-oxoethyl}-6-methyl-5-[4-(pyrimidin-2-yl)piperazine-1-sulfonyl]thieno[2,3-d]pyrimidin-4(3H)-one
Compound characteristics
| Compound ID: | C066-2371 |
| Compound Name: | 3-{2-[4-(2,5-dimethylphenyl)piperazin-1-yl]-2-oxoethyl}-6-methyl-5-[4-(pyrimidin-2-yl)piperazine-1-sulfonyl]thieno[2,3-d]pyrimidin-4(3H)-one |
| Molecular Weight: | 622.77 |
| Molecular Formula: | C29 H34 N8 O4 S2 |
| Smiles: | Cc1ccc(C)c(c1)N1CCN(CC1)C(CN1C=Nc2c(C1=O)c(c(C)s2)S(N1CCN(CC1)c1ncccn1)(=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.8274 |
| logD: | 2.8273 |
| logSw: | -3.305 |
| Hydrogen bond acceptors count: | 12 |
| Polar surface area: | 98.927 |
| InChI Key: | SIIXYAGDROKTPS-UHFFFAOYSA-N |