N-[(2H-1,3-benzodioxol-5-yl)methyl]-5-[1-{2-[(5-methyl-1H-pyrazol-3-yl)amino]-2-oxoethyl}-2,4-dioxo-1,4-dihydroquinazolin-3(2H)-yl]pentanamide
Chemical Structure Depiction of
N-[(2H-1,3-benzodioxol-5-yl)methyl]-5-[1-{2-[(5-methyl-1H-pyrazol-3-yl)amino]-2-oxoethyl}-2,4-dioxo-1,4-dihydroquinazolin-3(2H)-yl]pentanamide
N-[(2H-1,3-benzodioxol-5-yl)methyl]-5-[1-{2-[(5-methyl-1H-pyrazol-3-yl)amino]-2-oxoethyl}-2,4-dioxo-1,4-dihydroquinazolin-3(2H)-yl]pentanamide
Compound characteristics
| Compound ID: | C260-1022 |
| Compound Name: | N-[(2H-1,3-benzodioxol-5-yl)methyl]-5-[1-{2-[(5-methyl-1H-pyrazol-3-yl)amino]-2-oxoethyl}-2,4-dioxo-1,4-dihydroquinazolin-3(2H)-yl]pentanamide |
| Molecular Weight: | 532.56 |
| Molecular Formula: | C27 H28 N6 O6 |
| Smiles: | Cc1cc(NC(CN2C(N(CCCCC(NCc3ccc4c(c3)OCO4)=O)C(c3ccccc23)=O)=O)=O)n[nH]1 |
| Stereo: | ACHIRAL |
| logP: | 2.0641 |
| logD: | 2.0613 |
| logSw: | -3.1947 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 119.116 |
| InChI Key: | MHQDGMCHWFJPPH-UHFFFAOYSA-N |