N-tert-butyl-2-[(5-phenyl[1,2,4]triazolo[4,3-c]quinazolin-3-yl)sulfanyl]acetamide
Chemical Structure Depiction of
N-tert-butyl-2-[(5-phenyl[1,2,4]triazolo[4,3-c]quinazolin-3-yl)sulfanyl]acetamide
N-tert-butyl-2-[(5-phenyl[1,2,4]triazolo[4,3-c]quinazolin-3-yl)sulfanyl]acetamide
Compound characteristics
| Compound ID: | J084-0239 |
| Compound Name: | N-tert-butyl-2-[(5-phenyl[1,2,4]triazolo[4,3-c]quinazolin-3-yl)sulfanyl]acetamide |
| Molecular Weight: | 391.49 |
| Molecular Formula: | C21 H21 N5 O S |
| Smiles: | CC(C)(C)NC(CSc1nnc2c3ccccc3nc(c3ccccc3)n12)=O |
| Stereo: | ACHIRAL |
| logP: | 4.1656 |
| logD: | 4.1602 |
| logSw: | -4.1384 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 53.877 |
| InChI Key: | UQYGSCDRYHCFOE-UHFFFAOYSA-N |