N-[(2H-1,3-benzodioxol-5-yl)methyl]-4-({2,4-dioxo-1-[(2,4,6-trimethylphenyl)methyl]-1,4-dihydroquinazolin-3(2H)-yl}methyl)benzamide
Chemical Structure Depiction of
N-[(2H-1,3-benzodioxol-5-yl)methyl]-4-({2,4-dioxo-1-[(2,4,6-trimethylphenyl)methyl]-1,4-dihydroquinazolin-3(2H)-yl}methyl)benzamide
N-[(2H-1,3-benzodioxol-5-yl)methyl]-4-({2,4-dioxo-1-[(2,4,6-trimethylphenyl)methyl]-1,4-dihydroquinazolin-3(2H)-yl}methyl)benzamide
Compound characteristics
| Compound ID: | C260-1155 |
| Compound Name: | N-[(2H-1,3-benzodioxol-5-yl)methyl]-4-({2,4-dioxo-1-[(2,4,6-trimethylphenyl)methyl]-1,4-dihydroquinazolin-3(2H)-yl}methyl)benzamide |
| Molecular Weight: | 561.64 |
| Molecular Formula: | C34 H31 N3 O5 |
| Smiles: | Cc1cc(C)c(CN2C(N(Cc3ccc(cc3)C(NCc3ccc4c(c3)OCO4)=O)C(c3ccccc23)=O)=O)c(C)c1 |
| Stereo: | ACHIRAL |
| logP: | 6.1416 |
| logD: | 6.1416 |
| logSw: | -5.4503 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 72.796 |
| InChI Key: | VPYFDTKCKFIVDV-UHFFFAOYSA-N |