1-(5-{2-[(2H-1,3-benzodioxol-5-yl)amino]-2-oxoethyl}-4,6-dioxo-4,5,6,7-tetrahydro-3H-pyrrolo[2,3-d]pyrimidin-2-yl)piperidine-4-carboxamide
Chemical Structure Depiction of
1-(5-{2-[(2H-1,3-benzodioxol-5-yl)amino]-2-oxoethyl}-4,6-dioxo-4,5,6,7-tetrahydro-3H-pyrrolo[2,3-d]pyrimidin-2-yl)piperidine-4-carboxamide
1-(5-{2-[(2H-1,3-benzodioxol-5-yl)amino]-2-oxoethyl}-4,6-dioxo-4,5,6,7-tetrahydro-3H-pyrrolo[2,3-d]pyrimidin-2-yl)piperidine-4-carboxamide
Compound characteristics
| Compound ID: | 8020-2134 |
| Compound Name: | 1-(5-{2-[(2H-1,3-benzodioxol-5-yl)amino]-2-oxoethyl}-4,6-dioxo-4,5,6,7-tetrahydro-3H-pyrrolo[2,3-d]pyrimidin-2-yl)piperidine-4-carboxamide |
| Molecular Weight: | 454.44 |
| Molecular Formula: | C21 H22 N6 O6 |
| Smiles: | C1CN(CCC1C(N)=O)C1NC(C2C(CC(Nc3ccc4c(c3)OCO4)=O)C(NC=2N=1)=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | -0.7624 |
| logD: | -0.9899 |
| logSw: | -1.8876 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 5 |
| Polar surface area: | 136.071 |
| InChI Key: | OAYIYMMBWVTHQW-LBPRGKRZSA-N |