3-[(2H-1,3-benzodioxol-5-yl)methyl]-2,4-dioxo-N-[3-(pyrrolidin-1-yl)propyl]-1,2,3,4-tetrahydroquinazoline-7-carboxamide
Chemical Structure Depiction of
3-[(2H-1,3-benzodioxol-5-yl)methyl]-2,4-dioxo-N-[3-(pyrrolidin-1-yl)propyl]-1,2,3,4-tetrahydroquinazoline-7-carboxamide
3-[(2H-1,3-benzodioxol-5-yl)methyl]-2,4-dioxo-N-[3-(pyrrolidin-1-yl)propyl]-1,2,3,4-tetrahydroquinazoline-7-carboxamide
Compound characteristics
| Compound ID: | K221-3433 |
| Compound Name: | 3-[(2H-1,3-benzodioxol-5-yl)methyl]-2,4-dioxo-N-[3-(pyrrolidin-1-yl)propyl]-1,2,3,4-tetrahydroquinazoline-7-carboxamide |
| Molecular Weight: | 450.49 |
| Molecular Formula: | C24 H26 N4 O5 |
| Smiles: | C1CCN(C1)CCCNC(c1ccc2C(N(Cc3ccc4c(c3)OCO4)C(Nc2c1)=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.4703 |
| logD: | -0.5622 |
| logSw: | -3.1289 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 86.199 |
| InChI Key: | UKMRCNMNUVDEMG-UHFFFAOYSA-N |