N-(3-methylbutyl)-4-({2-[(2-{[(4-methylphenyl)methyl]amino}-2-oxoethyl)sulfanyl]-4-oxoquinazolin-3(4H)-yl}methyl)benzamide
Chemical Structure Depiction of
N-(3-methylbutyl)-4-({2-[(2-{[(4-methylphenyl)methyl]amino}-2-oxoethyl)sulfanyl]-4-oxoquinazolin-3(4H)-yl}methyl)benzamide
N-(3-methylbutyl)-4-({2-[(2-{[(4-methylphenyl)methyl]amino}-2-oxoethyl)sulfanyl]-4-oxoquinazolin-3(4H)-yl}methyl)benzamide
Compound characteristics
| Compound ID: | G629-0221 |
| Compound Name: | N-(3-methylbutyl)-4-({2-[(2-{[(4-methylphenyl)methyl]amino}-2-oxoethyl)sulfanyl]-4-oxoquinazolin-3(4H)-yl}methyl)benzamide |
| Molecular Weight: | 542.7 |
| Molecular Formula: | C31 H34 N4 O3 S |
| Smiles: | CC(C)CCNC(c1ccc(CN2C(=Nc3ccccc3C2=O)SCC(NCc2ccc(C)cc2)=O)cc1)=O |
| Stereo: | ACHIRAL |
| logP: | 4.7936 |
| logD: | 4.7936 |
| logSw: | -4.3737 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 74.769 |
| InChI Key: | VFPRZVDXCMLQDJ-UHFFFAOYSA-N |