N-[2-(3,4-dimethoxyphenyl)ethyl]-3-{2-[(2-{[(4-methylphenyl)methyl]amino}-2-oxoethyl)sulfanyl]-4-oxoquinazolin-3(4H)-yl}propanamide
Chemical Structure Depiction of
N-[2-(3,4-dimethoxyphenyl)ethyl]-3-{2-[(2-{[(4-methylphenyl)methyl]amino}-2-oxoethyl)sulfanyl]-4-oxoquinazolin-3(4H)-yl}propanamide
N-[2-(3,4-dimethoxyphenyl)ethyl]-3-{2-[(2-{[(4-methylphenyl)methyl]amino}-2-oxoethyl)sulfanyl]-4-oxoquinazolin-3(4H)-yl}propanamide
Compound characteristics
| Compound ID: | K284-4200 |
| Compound Name: | N-[2-(3,4-dimethoxyphenyl)ethyl]-3-{2-[(2-{[(4-methylphenyl)methyl]amino}-2-oxoethyl)sulfanyl]-4-oxoquinazolin-3(4H)-yl}propanamide |
| Molecular Weight: | 574.7 |
| Molecular Formula: | C31 H34 N4 O5 S |
| Smiles: | Cc1ccc(CNC(CSC2=Nc3ccccc3C(N2CCC(NCCc2ccc(c(c2)OC)OC)=O)=O)=O)cc1 |
| Stereo: | ACHIRAL |
| logP: | 2.7047 |
| logD: | 2.7047 |
| logSw: | -3.3593 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 89.795 |
| InChI Key: | PXVVKCUFXNWMCF-UHFFFAOYSA-N |