methyl 2-(2-{[3-(3-{[2-(3,4-dimethoxyphenyl)ethyl]amino}-3-oxopropyl)-4-oxo-3,4-dihydroquinazolin-2-yl]sulfanyl}acetamido)benzoate
Chemical Structure Depiction of
methyl 2-(2-{[3-(3-{[2-(3,4-dimethoxyphenyl)ethyl]amino}-3-oxopropyl)-4-oxo-3,4-dihydroquinazolin-2-yl]sulfanyl}acetamido)benzoate
methyl 2-(2-{[3-(3-{[2-(3,4-dimethoxyphenyl)ethyl]amino}-3-oxopropyl)-4-oxo-3,4-dihydroquinazolin-2-yl]sulfanyl}acetamido)benzoate
Compound characteristics
| Compound ID: | K284-4199 |
| Compound Name: | methyl 2-(2-{[3-(3-{[2-(3,4-dimethoxyphenyl)ethyl]amino}-3-oxopropyl)-4-oxo-3,4-dihydroquinazolin-2-yl]sulfanyl}acetamido)benzoate |
| Molecular Weight: | 604.68 |
| Molecular Formula: | C31 H32 N4 O7 S |
| Smiles: | COC(c1ccccc1NC(CSC1=Nc2ccccc2C(N1CCC(NCCc1ccc(c(c1)OC)OC)=O)=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.3245 |
| logD: | 2.3162 |
| logSw: | -3.0995 |
| Hydrogen bond acceptors count: | 13 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 108.949 |
| InChI Key: | DBKIWBGBBGTFMO-UHFFFAOYSA-N |