N-(3-methylbutyl)-4-{[2-{[(4-methylphenyl)methyl]sulfanyl}-4-oxoquinazolin-3(4H)-yl]methyl}benzamide
Chemical Structure Depiction of
N-(3-methylbutyl)-4-{[2-{[(4-methylphenyl)methyl]sulfanyl}-4-oxoquinazolin-3(4H)-yl]methyl}benzamide
N-(3-methylbutyl)-4-{[2-{[(4-methylphenyl)methyl]sulfanyl}-4-oxoquinazolin-3(4H)-yl]methyl}benzamide
Compound characteristics
| Compound ID: | G629-0210 |
| Compound Name: | N-(3-methylbutyl)-4-{[2-{[(4-methylphenyl)methyl]sulfanyl}-4-oxoquinazolin-3(4H)-yl]methyl}benzamide |
| Molecular Weight: | 485.65 |
| Molecular Formula: | C29 H31 N3 O2 S |
| Smiles: | CC(C)CCNC(c1ccc(CN2C(=Nc3ccccc3C2=O)SCc2ccc(C)cc2)cc1)=O |
| Stereo: | ACHIRAL |
| logP: | 5.4368 |
| logD: | 5.4368 |
| logSw: | -5.2941 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 50.297 |
| InChI Key: | SYISBZAKHBDDQZ-UHFFFAOYSA-N |