N-(butan-2-yl)-2-[(5-phenyl[1,2,4]triazolo[4,3-c]quinazolin-3-yl)sulfanyl]acetamide
Chemical Structure Depiction of
N-(butan-2-yl)-2-[(5-phenyl[1,2,4]triazolo[4,3-c]quinazolin-3-yl)sulfanyl]acetamide
N-(butan-2-yl)-2-[(5-phenyl[1,2,4]triazolo[4,3-c]quinazolin-3-yl)sulfanyl]acetamide
Compound characteristics
| Compound ID: | J084-0245 |
| Compound Name: | N-(butan-2-yl)-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: | CCC(C)NC(CSc1nnc2c3ccccc3nc(c3ccccc3)n12)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.9024 |
| logD: | 3.897 |
| logSw: | -3.9018 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 54.495 |
| InChI Key: | POPLGWJNROYDAI-AWEZNQCLSA-N |