3-benzyl-2-[(cyanomethyl)sulfanyl]-N-cyclopentyl-4-oxo-3,4-dihydroquinazoline-7-carboxamide
Chemical Structure Depiction of
3-benzyl-2-[(cyanomethyl)sulfanyl]-N-cyclopentyl-4-oxo-3,4-dihydroquinazoline-7-carboxamide
3-benzyl-2-[(cyanomethyl)sulfanyl]-N-cyclopentyl-4-oxo-3,4-dihydroquinazoline-7-carboxamide
Compound characteristics
| Compound ID: | G836-0055 |
| Compound Name: | 3-benzyl-2-[(cyanomethyl)sulfanyl]-N-cyclopentyl-4-oxo-3,4-dihydroquinazoline-7-carboxamide |
| Molecular Weight: | 418.52 |
| Molecular Formula: | C23 H22 N4 O2 S |
| Smiles: | C1CCC(C1)NC(c1ccc2C(N(Cc3ccccc3)C(=Nc2c1)SCC#N)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.4493 |
| logD: | 3.4493 |
| logSw: | -3.9271 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 68.039 |
| InChI Key: | IKAKMPSCDGWPLU-UHFFFAOYSA-N |