N-[(2H-1,3-benzodioxol-5-yl)methyl]-4-({1-[2-(3-methylanilino)-2-oxoethyl]-2,4-dioxo-1,4-dihydroquinazolin-3(2H)-yl}methyl)benzamide
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}methyl)benzamide
N-[(2H-1,3-benzodioxol-5-yl)methyl]-4-({1-[2-(3-methylanilino)-2-oxoethyl]-2,4-dioxo-1,4-dihydroquinazolin-3(2H)-yl}methyl)benzamide
Compound characteristics
| Compound ID: | C260-1157 |
| 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}methyl)benzamide |
| Molecular Weight: | 576.61 |
| Molecular Formula: | C33 H28 N4 O6 |
| Smiles: | Cc1cccc(c1)NC(CN1C(N(Cc2ccc(cc2)C(NCc2ccc3c(c2)OCO3)=O)C(c2ccccc12)=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.49 |
| logD: | 4.49 |
| logSw: | -4.3376 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 95.945 |
| InChI Key: | OYRVEHLVVUKSDH-UHFFFAOYSA-N |