4-{[2-{[(2,5-dimethylphenyl)methyl]sulfanyl}-4-oxoquinazolin-3(4H)-yl]methyl}-N-propylbenzamide
Chemical Structure Depiction of
4-{[2-{[(2,5-dimethylphenyl)methyl]sulfanyl}-4-oxoquinazolin-3(4H)-yl]methyl}-N-propylbenzamide
4-{[2-{[(2,5-dimethylphenyl)methyl]sulfanyl}-4-oxoquinazolin-3(4H)-yl]methyl}-N-propylbenzamide
Compound characteristics
| Compound ID: | G629-0025 |
| Compound Name: | 4-{[2-{[(2,5-dimethylphenyl)methyl]sulfanyl}-4-oxoquinazolin-3(4H)-yl]methyl}-N-propylbenzamide |
| Molecular Weight: | 471.62 |
| Molecular Formula: | C28 H29 N3 O2 S |
| Smiles: | CCCNC(c1ccc(CN2C(=Nc3ccccc3C2=O)SCc2cc(C)ccc2C)cc1)=O |
| Stereo: | ACHIRAL |
| logP: | 5.7179 |
| logD: | 5.7179 |
| logSw: | -5.3516 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 50.297 |
| InChI Key: | ITAROTJQJHUMRI-UHFFFAOYSA-N |