1-[(cyanomethyl)sulfanyl]-4-(2-methylpropyl)-5-oxo-N-(propan-2-yl)-4,5-dihydro[1,2,4]triazolo[4,3-a]quinazoline-8-carboxamide
Chemical Structure Depiction of
1-[(cyanomethyl)sulfanyl]-4-(2-methylpropyl)-5-oxo-N-(propan-2-yl)-4,5-dihydro[1,2,4]triazolo[4,3-a]quinazoline-8-carboxamide
1-[(cyanomethyl)sulfanyl]-4-(2-methylpropyl)-5-oxo-N-(propan-2-yl)-4,5-dihydro[1,2,4]triazolo[4,3-a]quinazoline-8-carboxamide
Compound characteristics
| Compound ID: | F472-0269 |
| Compound Name: | 1-[(cyanomethyl)sulfanyl]-4-(2-methylpropyl)-5-oxo-N-(propan-2-yl)-4,5-dihydro[1,2,4]triazolo[4,3-a]quinazoline-8-carboxamide |
| Molecular Weight: | 398.49 |
| Molecular Formula: | C19 H22 N6 O2 S |
| Smiles: | CC(C)CN1C(c2ccc(cc2n2c1nnc2SCC#N)C(NC(C)C)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.0861 |
| logD: | 2.0861 |
| logSw: | -2.9995 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 81.006 |
| InChI Key: | JLRXZBJLJJGQGA-UHFFFAOYSA-N |