4-({2-[(cyanomethyl)sulfanyl]-4-oxoquinazolin-3(4H)-yl}methyl)-N-propylbenzamide
Chemical Structure Depiction of
4-({2-[(cyanomethyl)sulfanyl]-4-oxoquinazolin-3(4H)-yl}methyl)-N-propylbenzamide
4-({2-[(cyanomethyl)sulfanyl]-4-oxoquinazolin-3(4H)-yl}methyl)-N-propylbenzamide
Compound characteristics
| Compound ID: | G629-0001 |
| Compound Name: | 4-({2-[(cyanomethyl)sulfanyl]-4-oxoquinazolin-3(4H)-yl}methyl)-N-propylbenzamide |
| Molecular Weight: | 392.48 |
| Molecular Formula: | C21 H20 N4 O2 S |
| Smiles: | CCCNC(c1ccc(CN2C(=Nc3ccccc3C2=O)SCC#N)cc1)=O |
| Stereo: | ACHIRAL |
| logP: | 2.4768 |
| logD: | 2.4768 |
| logSw: | -2.9367 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 68.061 |
| InChI Key: | KMRQJYXHSRKVMA-UHFFFAOYSA-N |