2-[(5-phenyl[1,2,4]triazolo[4,3-c]quinazolin-3-yl)sulfanyl]-1-(pyrrolidin-1-yl)ethan-1-one
Chemical Structure Depiction of
2-[(5-phenyl[1,2,4]triazolo[4,3-c]quinazolin-3-yl)sulfanyl]-1-(pyrrolidin-1-yl)ethan-1-one
2-[(5-phenyl[1,2,4]triazolo[4,3-c]quinazolin-3-yl)sulfanyl]-1-(pyrrolidin-1-yl)ethan-1-one
Compound characteristics
| Compound ID: | J084-0012 |
| Compound Name: | 2-[(5-phenyl[1,2,4]triazolo[4,3-c]quinazolin-3-yl)sulfanyl]-1-(pyrrolidin-1-yl)ethan-1-one |
| Molecular Weight: | 389.48 |
| Molecular Formula: | C21 H19 N5 O S |
| Smiles: | C1CCN(C1)C(CSc1nnc2c3ccccc3nc(c3ccccc3)n12)=O |
| Stereo: | ACHIRAL |
| logP: | 3.7991 |
| logD: | 3.7937 |
| logSw: | -3.9973 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 47.069 |
| InChI Key: | DUHHCBONFWTIQB-UHFFFAOYSA-N |