6-methyl-3-{2-[3-methyl-4-(3-methylphenyl)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-[3-methyl-4-(3-methylphenyl)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-[3-methyl-4-(3-methylphenyl)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: | C210-0172 |
| Compound Name: | 6-methyl-3-{2-[3-methyl-4-(3-methylphenyl)piperazin-1-yl]-2-oxoethyl}-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: | CC1CN(CCN1c1cccc(C)c1)C(CN1C=Nc2c(C1=O)c(c(C)s2)S(N1CCN(CC1)c1ncccn1)(=O)=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.5807 |
| logD: | 2.5805 |
| logSw: | -2.8897 |
| Hydrogen bond acceptors count: | 12 |
| Polar surface area: | 98.446 |
| InChI Key: | IDRYXFCFJKSVRZ-NRFANRHFSA-N |