N-(2H-1,3-benzodioxol-5-yl)-5-{[(2-bromophenyl)carbamamido]methyl}-1,3,4-thiadiazole-2-carboxamide
Chemical Structure Depiction of
N-(2H-1,3-benzodioxol-5-yl)-5-{[(2-bromophenyl)carbamamido]methyl}-1,3,4-thiadiazole-2-carboxamide
N-(2H-1,3-benzodioxol-5-yl)-5-{[(2-bromophenyl)carbamamido]methyl}-1,3,4-thiadiazole-2-carboxamide
Compound characteristics
Compound ID: | L062-0591 |
Compound Name: | N-(2H-1,3-benzodioxol-5-yl)-5-{[(2-bromophenyl)carbamamido]methyl}-1,3,4-thiadiazole-2-carboxamide |
Molecular Weight: | 476.31 |
Molecular Formula: | C18 H14 Br N5 O4 S |
Smiles: | C(c1nnc(C(Nc2ccc3c(c2)OCO3)=O)s1)NC(Nc1ccccc1[Br])=O |
Stereo: | ACHIRAL |
logP: | 2.953 |
logD: | 2.9521 |
logSw: | -3.3991 |
Hydrogen bond acceptors count: | 8 |
Hydrogen bond donors count: | 3 |
Polar surface area: | 97.372 |
InChI Key: | HXJHUJCBSOCHHZ-UHFFFAOYSA-N |