N-[(2H-1,3-benzodioxol-5-yl)methyl]-4-{1-[2-(3-methylanilino)-2-oxoethyl]-2,4-dioxo-1,4-dihydroquinazolin-3(2H)-yl}butanamide
Chemical Structure Depiction of
N-[(2H-1,3-benzodioxol-5-yl)methyl]-4-{1-[2-(3-methylanilino)-2-oxoethyl]-2,4-dioxo-1,4-dihydroquinazolin-3(2H)-yl}butanamide
N-[(2H-1,3-benzodioxol-5-yl)methyl]-4-{1-[2-(3-methylanilino)-2-oxoethyl]-2,4-dioxo-1,4-dihydroquinazolin-3(2H)-yl}butanamide
Compound characteristics
| Compound ID: | C260-1108 |
| Compound Name: | N-[(2H-1,3-benzodioxol-5-yl)methyl]-4-{1-[2-(3-methylanilino)-2-oxoethyl]-2,4-dioxo-1,4-dihydroquinazolin-3(2H)-yl}butanamide |
| Molecular Weight: | 528.56 |
| Molecular Formula: | C29 H28 N4 O6 |
| Smiles: | Cc1cccc(c1)NC(CN1C(N(CCCC(NCc2ccc3c(c2)OCO3)=O)C(c2ccccc12)=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.9375 |
| logD: | 2.9375 |
| logSw: | -3.4845 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 95.981 |
| InChI Key: | SMUHZMJYIHJBJB-UHFFFAOYSA-N |