N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[2-(3,4-dihydroisoquinolin-2(1H)-yl)-4,6-dioxo-4,5,6,7-tetrahydro-3H-pyrrolo[2,3-d]pyrimidin-5-yl]acetamide
Chemical Structure Depiction of
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[2-(3,4-dihydroisoquinolin-2(1H)-yl)-4,6-dioxo-4,5,6,7-tetrahydro-3H-pyrrolo[2,3-d]pyrimidin-5-yl]acetamide
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[2-(3,4-dihydroisoquinolin-2(1H)-yl)-4,6-dioxo-4,5,6,7-tetrahydro-3H-pyrrolo[2,3-d]pyrimidin-5-yl]acetamide
Compound characteristics
| Compound ID: | 8020-0265 |
| Compound Name: | N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[2-(3,4-dihydroisoquinolin-2(1H)-yl)-4,6-dioxo-4,5,6,7-tetrahydro-3H-pyrrolo[2,3-d]pyrimidin-5-yl]acetamide |
| Molecular Weight: | 473.49 |
| Molecular Formula: | C25 H23 N5 O5 |
| Smiles: | C1CN(Cc2ccccc12)C1NC(C2C(CC(Nc3ccc4c(c3)OCCO4)=O)C(NC=2N=1)=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 0.8018 |
| logD: | 0.6617 |
| logSw: | -2.2841 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 100.381 |
| InChI Key: | MADZMKASHCAONI-KRWDZBQOSA-N |