N-[2-(3,4-dimethoxyphenyl)ethyl]-3-[2-({2-[(3-methylbutyl)amino]-2-oxoethyl}sulfanyl)-4-oxoquinazolin-3(4H)-yl]propanamide
Chemical Structure Depiction of
N-[2-(3,4-dimethoxyphenyl)ethyl]-3-[2-({2-[(3-methylbutyl)amino]-2-oxoethyl}sulfanyl)-4-oxoquinazolin-3(4H)-yl]propanamide
N-[2-(3,4-dimethoxyphenyl)ethyl]-3-[2-({2-[(3-methylbutyl)amino]-2-oxoethyl}sulfanyl)-4-oxoquinazolin-3(4H)-yl]propanamide
Compound characteristics
| Compound ID: | K284-4400 |
| Compound Name: | N-[2-(3,4-dimethoxyphenyl)ethyl]-3-[2-({2-[(3-methylbutyl)amino]-2-oxoethyl}sulfanyl)-4-oxoquinazolin-3(4H)-yl]propanamide |
| Molecular Weight: | 540.68 |
| Molecular Formula: | C28 H36 N4 O5 S |
| Smiles: | CC(C)CCNC(CSC1=Nc2ccccc2C(N1CCC(NCCc1ccc(c(c1)OC)OC)=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.1489 |
| logD: | 2.1489 |
| logSw: | -2.8895 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 89.908 |
| InChI Key: | CXXLNLCKGFMGSC-UHFFFAOYSA-N |