N-(3-methylbutyl)-2-[(5-phenyl[1,2,4]triazolo[4,3-c]quinazolin-3-yl)sulfanyl]acetamide
Chemical Structure Depiction of
N-(3-methylbutyl)-2-[(5-phenyl[1,2,4]triazolo[4,3-c]quinazolin-3-yl)sulfanyl]acetamide
N-(3-methylbutyl)-2-[(5-phenyl[1,2,4]triazolo[4,3-c]quinazolin-3-yl)sulfanyl]acetamide
Compound characteristics
| Compound ID: | J084-0024 |
| Compound Name: | N-(3-methylbutyl)-2-[(5-phenyl[1,2,4]triazolo[4,3-c]quinazolin-3-yl)sulfanyl]acetamide |
| Molecular Weight: | 405.52 |
| Molecular Formula: | C22 H23 N5 O S |
| Smiles: | CC(C)CCNC(CSc1nnc2c3ccccc3nc(c3ccccc3)n12)=O |
| Stereo: | ACHIRAL |
| logP: | 4.3041 |
| logD: | 4.2987 |
| logSw: | -4.0643 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 54.895 |
| InChI Key: | OPZBKJMWIWDZDR-UHFFFAOYSA-N |