ethyl 4-(2-{[3-(4-{[2-(3,4-dimethoxyphenyl)ethyl]amino}-4-oxobutyl)-4-oxo-3,4-dihydroquinazolin-2-yl]sulfanyl}acetamido)benzoate
Chemical Structure Depiction of
ethyl 4-(2-{[3-(4-{[2-(3,4-dimethoxyphenyl)ethyl]amino}-4-oxobutyl)-4-oxo-3,4-dihydroquinazolin-2-yl]sulfanyl}acetamido)benzoate
ethyl 4-(2-{[3-(4-{[2-(3,4-dimethoxyphenyl)ethyl]amino}-4-oxobutyl)-4-oxo-3,4-dihydroquinazolin-2-yl]sulfanyl}acetamido)benzoate
Compound characteristics
| Compound ID: | K284-3286 |
| Compound Name: | ethyl 4-(2-{[3-(4-{[2-(3,4-dimethoxyphenyl)ethyl]amino}-4-oxobutyl)-4-oxo-3,4-dihydroquinazolin-2-yl]sulfanyl}acetamido)benzoate |
| Molecular Weight: | 632.74 |
| Molecular Formula: | C33 H36 N4 O7 S |
| Smiles: | CCOC(c1ccc(cc1)NC(CSC1=Nc2ccccc2C(N1CCCC(NCCc1ccc(c(c1)OC)OC)=O)=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.9481 |
| logD: | 2.9481 |
| logSw: | -3.59 |
| Hydrogen bond acceptors count: | 13 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 109.226 |
| InChI Key: | VEBKXSSGIGJZFN-UHFFFAOYSA-N |