4-({2-[(cyanomethyl)sulfanyl]-4-oxoquinazolin-3(4H)-yl}methyl)-N-cyclopentylbenzamide
Chemical Structure Depiction of
4-({2-[(cyanomethyl)sulfanyl]-4-oxoquinazolin-3(4H)-yl}methyl)-N-cyclopentylbenzamide
4-({2-[(cyanomethyl)sulfanyl]-4-oxoquinazolin-3(4H)-yl}methyl)-N-cyclopentylbenzamide
Compound characteristics
| Compound ID: | G629-0160 |
| Compound Name: | 4-({2-[(cyanomethyl)sulfanyl]-4-oxoquinazolin-3(4H)-yl}methyl)-N-cyclopentylbenzamide |
| Molecular Weight: | 418.52 |
| Molecular Formula: | C23 H22 N4 O2 S |
| Smiles: | C1CCC(C1)NC(c1ccc(CN2C(=Nc3ccccc3C2=O)SCC#N)cc1)=O |
| Stereo: | ACHIRAL |
| logP: | 3.1283 |
| logD: | 3.1283 |
| logSw: | -3.7647 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 68.039 |
| InChI Key: | DVOGFGRAYMAACL-UHFFFAOYSA-N |