5-[1-(2-{[(2H-1,3-benzodioxol-5-yl)methyl]amino}-2-oxoethyl)-2,4-dioxo-1,4-dihydroquinazolin-3(2H)-yl]-N-(2-methylpropyl)pentanamide
Chemical Structure Depiction of
5-[1-(2-{[(2H-1,3-benzodioxol-5-yl)methyl]amino}-2-oxoethyl)-2,4-dioxo-1,4-dihydroquinazolin-3(2H)-yl]-N-(2-methylpropyl)pentanamide
5-[1-(2-{[(2H-1,3-benzodioxol-5-yl)methyl]amino}-2-oxoethyl)-2,4-dioxo-1,4-dihydroquinazolin-3(2H)-yl]-N-(2-methylpropyl)pentanamide
Compound characteristics
| Compound ID: | F142-0733 |
| Compound Name: | 5-[1-(2-{[(2H-1,3-benzodioxol-5-yl)methyl]amino}-2-oxoethyl)-2,4-dioxo-1,4-dihydroquinazolin-3(2H)-yl]-N-(2-methylpropyl)pentanamide |
| Molecular Weight: | 508.57 |
| Molecular Formula: | C27 H32 N4 O6 |
| Smiles: | CC(C)CNC(CCCCN1C(c2ccccc2N(CC(NCc2ccc3c(c2)OCO3)=O)C1=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.1596 |
| logD: | 2.1596 |
| logSw: | -3.1321 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 97.575 |
| InChI Key: | OCQXCFYOLYHNIZ-UHFFFAOYSA-N |