3-(2-{4-[(2H-1,3-benzodioxol-5-yl)methyl]piperazin-1-yl}-2-oxoethyl)-6-methyl-5-(piperidine-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-(piperidine-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-(piperidine-1-sulfonyl)thieno[2,3-d]pyrimidin-4(3H)-one
Compound characteristics
| Compound ID: | C096-0238 |
| Compound Name: | 3-(2-{4-[(2H-1,3-benzodioxol-5-yl)methyl]piperazin-1-yl}-2-oxoethyl)-6-methyl-5-(piperidine-1-sulfonyl)thieno[2,3-d]pyrimidin-4(3H)-one |
| Molecular Weight: | 573.69 |
| Molecular Formula: | C26 H31 N5 O6 S2 |
| Smiles: | Cc1c(c2C(N(CC(N3CCN(CC3)Cc3ccc4c(c3)OCO4)=O)C=Nc2s1)=O)S(N1CCCCC1)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 1.3355 |
| logD: | 1.1439 |
| logSw: | -2.4502 |
| Hydrogen bond acceptors count: | 13 |
| Polar surface area: | 95 |
| InChI Key: | BWCGYVBMOWTRLI-UHFFFAOYSA-N |