4-({2-[(cyanomethyl)sulfanyl]-4-oxoquinazolin-3(4H)-yl}methyl)-N-cyclopropylbenzamide
Chemical Structure Depiction of
4-({2-[(cyanomethyl)sulfanyl]-4-oxoquinazolin-3(4H)-yl}methyl)-N-cyclopropylbenzamide
4-({2-[(cyanomethyl)sulfanyl]-4-oxoquinazolin-3(4H)-yl}methyl)-N-cyclopropylbenzamide
Compound characteristics
| Compound ID: | G629-0111 |
| Compound Name: | 4-({2-[(cyanomethyl)sulfanyl]-4-oxoquinazolin-3(4H)-yl}methyl)-N-cyclopropylbenzamide |
| Molecular Weight: | 390.46 |
| Molecular Formula: | C21 H18 N4 O2 S |
| Smiles: | C1CC1NC(c1ccc(CN2C(=Nc3ccccc3C2=O)SCC#N)cc1)=O |
| Stereo: | ACHIRAL |
| logP: | 2.1967 |
| logD: | 2.1967 |
| logSw: | -2.9197 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 68.004 |
| InChI Key: | CFIMLHABOAREKM-UHFFFAOYSA-N |