N-[(2H-1,3-benzodioxol-5-yl)methyl]-5-[1-(2-{[2-(3,4-dimethoxyphenyl)ethyl]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-{[2-(3,4-dimethoxyphenyl)ethyl]amino}-2-oxoethyl)-2,4-dioxo-1,4-dihydroquinazolin-3(2H)-yl]pentanamide
N-[(2H-1,3-benzodioxol-5-yl)methyl]-5-[1-(2-{[2-(3,4-dimethoxyphenyl)ethyl]amino}-2-oxoethyl)-2,4-dioxo-1,4-dihydroquinazolin-3(2H)-yl]pentanamide
Compound characteristics
| Compound ID: | C260-1017 |
| Compound Name: | N-[(2H-1,3-benzodioxol-5-yl)methyl]-5-[1-(2-{[2-(3,4-dimethoxyphenyl)ethyl]amino}-2-oxoethyl)-2,4-dioxo-1,4-dihydroquinazolin-3(2H)-yl]pentanamide |
| Molecular Weight: | 616.67 |
| Molecular Formula: | C33 H36 N4 O8 |
| Smiles: | COc1ccc(CCNC(CN2C(N(CCCCC(NCc3ccc4c(c3)OCO4)=O)C(c3ccccc23)=O)=O)=O)cc1OC |
| Stereo: | ACHIRAL |
| logP: | 1.9613 |
| logD: | 1.9613 |
| logSw: | -2.9651 |
| Hydrogen bond acceptors count: | 12 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 112.406 |
| InChI Key: | ZJESLXQKAYKUPS-UHFFFAOYSA-N |