N-[5-(4-bromophenyl)-6H-1,3,4-thiadiazin-2-yl]-2-[(5H-[1,2,4]triazino[5,6-b]indol-3-yl)sulfanyl]butanamide
Chemical Structure Depiction of
N-[5-(4-bromophenyl)-6H-1,3,4-thiadiazin-2-yl]-2-[(5H-[1,2,4]triazino[5,6-b]indol-3-yl)sulfanyl]butanamide
N-[5-(4-bromophenyl)-6H-1,3,4-thiadiazin-2-yl]-2-[(5H-[1,2,4]triazino[5,6-b]indol-3-yl)sulfanyl]butanamide
Compound characteristics
Compound ID: | D026-0003 |
Compound Name: | N-[5-(4-bromophenyl)-6H-1,3,4-thiadiazin-2-yl]-2-[(5H-[1,2,4]triazino[5,6-b]indol-3-yl)sulfanyl]butanamide |
Molecular Weight: | 540.46 |
Molecular Formula: | C22 H18 Br N7 O S2 |
Smiles: | CCC(C(NC1=NN=C(CS1)c1ccc(cc1)[Br])=O)Sc1nc2c(c3ccccc3[nH]2)nn1 |
Stereo: | RACEMIC MIXTURE |
logP: | 5.1064 |
logD: | 5.1058 |
logSw: | -5.1427 |
Hydrogen bond acceptors count: | 9 |
Hydrogen bond donors count: | 2 |
Polar surface area: | 84.58 |
InChI Key: | FAZXJVFOKYKQJM-KRWDZBQOSA-N |