4-{[2-{[2-(benzylamino)-2-oxoethyl]sulfanyl}-4-oxoquinazolin-3(4H)-yl]methyl}-N-(2-methoxyethyl)benzamide
Chemical Structure Depiction of
4-{[2-{[2-(benzylamino)-2-oxoethyl]sulfanyl}-4-oxoquinazolin-3(4H)-yl]methyl}-N-(2-methoxyethyl)benzamide
4-{[2-{[2-(benzylamino)-2-oxoethyl]sulfanyl}-4-oxoquinazolin-3(4H)-yl]methyl}-N-(2-methoxyethyl)benzamide
Compound characteristics
| Compound ID: | G629-0247 |
| Compound Name: | 4-{[2-{[2-(benzylamino)-2-oxoethyl]sulfanyl}-4-oxoquinazolin-3(4H)-yl]methyl}-N-(2-methoxyethyl)benzamide |
| Molecular Weight: | 516.62 |
| Molecular Formula: | C28 H28 N4 O4 S |
| Smiles: | COCCNC(c1ccc(CN2C(=Nc3ccccc3C2=O)SCC(NCc2ccccc2)=O)cc1)=O |
| Stereo: | ACHIRAL |
| logP: | 2.8366 |
| logD: | 2.8366 |
| logSw: | -3.6498 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 83.111 |
| InChI Key: | GJKJYOWNTZADMH-UHFFFAOYSA-N |