3-(2-{4-[(2H-1,3-benzodioxol-5-yl)methyl]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-[(2H-1,3-benzodioxol-5-yl)methyl]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-[(2H-1,3-benzodioxol-5-yl)methyl]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: | C210-0087 |
| Compound Name: | 3-(2-{4-[(2H-1,3-benzodioxol-5-yl)methyl]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: | 652.75 |
| Molecular Formula: | C29 H32 N8 O6 S2 |
| Smiles: | Cc1c(c2C(N(CC(N3CCN(CC3)Cc3ccc4c(c3)OCO4)=O)C=Nc2s1)=O)S(N1CCN(CC1)c1ncccn1)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 1.2217 |
| logD: | 1.0301 |
| logSw: | -2.4912 |
| Hydrogen bond acceptors count: | 15 |
| Polar surface area: | 116.623 |
| InChI Key: | KCCKFWOAHDTIBP-UHFFFAOYSA-N |