methyl 2-{2-[3-(3-{[2-(3,4-dimethoxyphenyl)ethyl]amino}-3-oxopropyl)-2,4-dioxo-3,4-dihydroquinazolin-1(2H)-yl]acetamido}benzoate
Chemical Structure Depiction of
methyl 2-{2-[3-(3-{[2-(3,4-dimethoxyphenyl)ethyl]amino}-3-oxopropyl)-2,4-dioxo-3,4-dihydroquinazolin-1(2H)-yl]acetamido}benzoate
methyl 2-{2-[3-(3-{[2-(3,4-dimethoxyphenyl)ethyl]amino}-3-oxopropyl)-2,4-dioxo-3,4-dihydroquinazolin-1(2H)-yl]acetamido}benzoate
Compound characteristics
| Compound ID: | C260-1290 |
| Compound Name: | methyl 2-{2-[3-(3-{[2-(3,4-dimethoxyphenyl)ethyl]amino}-3-oxopropyl)-2,4-dioxo-3,4-dihydroquinazolin-1(2H)-yl]acetamido}benzoate |
| Molecular Weight: | 588.62 |
| Molecular Formula: | C31 H32 N4 O8 |
| Smiles: | COC(c1ccccc1NC(CN1C(N(CCC(NCCc2ccc(c(c2)OC)OC)=O)C(c2ccccc12)=O)=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 1.934 |
| logD: | 1.9216 |
| logSw: | -2.9987 |
| Hydrogen bond acceptors count: | 13 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 114.444 |
| InChI Key: | TUJSGMLADLNGJD-UHFFFAOYSA-N |