7-(2-{4-[(2H-1,3-benzodioxol-5-yl)methyl]piperazin-1-yl}-2-oxoethyl)-1,3-dimethyl-1H-pyrrolo[2,3-d]pyrimidine-2,4(3H,7H)-dione
Chemical Structure Depiction of
7-(2-{4-[(2H-1,3-benzodioxol-5-yl)methyl]piperazin-1-yl}-2-oxoethyl)-1,3-dimethyl-1H-pyrrolo[2,3-d]pyrimidine-2,4(3H,7H)-dione
7-(2-{4-[(2H-1,3-benzodioxol-5-yl)methyl]piperazin-1-yl}-2-oxoethyl)-1,3-dimethyl-1H-pyrrolo[2,3-d]pyrimidine-2,4(3H,7H)-dione
Compound characteristics
| Compound ID: | L462-0330 |
| Compound Name: | 7-(2-{4-[(2H-1,3-benzodioxol-5-yl)methyl]piperazin-1-yl}-2-oxoethyl)-1,3-dimethyl-1H-pyrrolo[2,3-d]pyrimidine-2,4(3H,7H)-dione |
| Molecular Weight: | 439.47 |
| Molecular Formula: | C22 H25 N5 O5 |
| Smiles: | CN1C(c2ccn(CC(N3CCN(CC3)Cc3ccc4c(c3)OCO4)=O)c2N(C)C1=O)=O |
| Stereo: | ACHIRAL |
| logP: | 1.0895 |
| logD: | 0.8979 |
| logSw: | -2.2742 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 70.732 |
| InChI Key: | HCJJYMMLBBWUEH-UHFFFAOYSA-N |