6-{4-[(2H-1,3-benzodioxol-5-yl)methyl]piperazine-1-carbonyl}-1,3-dimethylthieno[2,3-d]pyrimidine-2,4(1H,3H)-dione
Chemical Structure Depiction of
6-{4-[(2H-1,3-benzodioxol-5-yl)methyl]piperazine-1-carbonyl}-1,3-dimethylthieno[2,3-d]pyrimidine-2,4(1H,3H)-dione
6-{4-[(2H-1,3-benzodioxol-5-yl)methyl]piperazine-1-carbonyl}-1,3-dimethylthieno[2,3-d]pyrimidine-2,4(1H,3H)-dione
Compound characteristics
| Compound ID: | F993-0342 |
| Compound Name: | 6-{4-[(2H-1,3-benzodioxol-5-yl)methyl]piperazine-1-carbonyl}-1,3-dimethylthieno[2,3-d]pyrimidine-2,4(1H,3H)-dione |
| Molecular Weight: | 442.49 |
| Molecular Formula: | C21 H22 N4 O5 S |
| Smiles: | CN1C(c2cc(C(N3CCN(CC3)Cc3ccc4c(c3)OCO4)=O)sc2N(C)C1=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.13 |
| logD: | 1.9453 |
| logSw: | -3.1089 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 69.097 |
| InChI Key: | HGEPLPLMQSJICN-UHFFFAOYSA-N |