N-(4-bromophenyl)-2-[(9-phenylpyrazolo[1,5-a][1,2,4]triazolo[3,4-c]pyrazin-3-yl)sulfanyl]acetamide
Chemical Structure Depiction of
N-(4-bromophenyl)-2-[(9-phenylpyrazolo[1,5-a][1,2,4]triazolo[3,4-c]pyrazin-3-yl)sulfanyl]acetamide
N-(4-bromophenyl)-2-[(9-phenylpyrazolo[1,5-a][1,2,4]triazolo[3,4-c]pyrazin-3-yl)sulfanyl]acetamide
Compound characteristics
Compound ID: | F831-0016 |
Compound Name: | N-(4-bromophenyl)-2-[(9-phenylpyrazolo[1,5-a][1,2,4]triazolo[3,4-c]pyrazin-3-yl)sulfanyl]acetamide |
Molecular Weight: | 479.36 |
Molecular Formula: | C21 H15 Br N6 O S |
Smiles: | C(C(Nc1ccc(cc1)[Br])=O)Sc1nnc2c3cc(c4ccccc4)nn3ccn12 |
Stereo: | ACHIRAL |
logP: | 3.9496 |
logD: | 3.8792 |
logSw: | -4.1123 |
Hydrogen bond acceptors count: | 6 |
Hydrogen bond donors count: | 1 |
Polar surface area: | 56.457 |
InChI Key: | RDBOACSRERKWQP-UHFFFAOYSA-N |