1-[(cyanomethyl)sulfanyl]-5-oxo-N-(propan-2-yl)-4-propyl-4,5-dihydro[1,2,4]triazolo[4,3-a]quinazoline-8-carboxamide
Chemical Structure Depiction of
1-[(cyanomethyl)sulfanyl]-5-oxo-N-(propan-2-yl)-4-propyl-4,5-dihydro[1,2,4]triazolo[4,3-a]quinazoline-8-carboxamide
1-[(cyanomethyl)sulfanyl]-5-oxo-N-(propan-2-yl)-4-propyl-4,5-dihydro[1,2,4]triazolo[4,3-a]quinazoline-8-carboxamide
Compound characteristics
| Compound ID: | F472-0001 |
| Compound Name: | 1-[(cyanomethyl)sulfanyl]-5-oxo-N-(propan-2-yl)-4-propyl-4,5-dihydro[1,2,4]triazolo[4,3-a]quinazoline-8-carboxamide |
| Molecular Weight: | 384.46 |
| Molecular Formula: | C18 H20 N6 O2 S |
| Smiles: | CCCN1C(c2ccc(cc2n2c1nnc2SCC#N)C(NC(C)C)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 1.6341 |
| logD: | 1.6341 |
| logSw: | -2.6866 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 80.984 |
| InChI Key: | CLFPQRPSTNENLN-UHFFFAOYSA-N |