3-chloro-N-[4-(1,2-dimethyl-3,5-dioxo-1,2,4-triazolidin-4-yl)phenyl]-1-benzothiophene-2-carboxamide
Chemical Structure Depiction of
3-chloro-N-[4-(1,2-dimethyl-3,5-dioxo-1,2,4-triazolidin-4-yl)phenyl]-1-benzothiophene-2-carboxamide
3-chloro-N-[4-(1,2-dimethyl-3,5-dioxo-1,2,4-triazolidin-4-yl)phenyl]-1-benzothiophene-2-carboxamide
Compound characteristics
Compound ID: | 8019-0520 |
Compound Name: | 3-chloro-N-[4-(1,2-dimethyl-3,5-dioxo-1,2,4-triazolidin-4-yl)phenyl]-1-benzothiophene-2-carboxamide |
Molecular Weight: | 414.87 |
Molecular Formula: | C19 H15 Cl N4 O3 S |
Smiles: | CN1C(N(C(N1C)=O)c1ccc(cc1)NC(c1c(c2ccccc2s1)[Cl])=O)=O |
Stereo: | ACHIRAL |
logP: | 3.5415 |
logD: | 3.5413 |
logSw: | -4.2855 |
Hydrogen bond acceptors count: | 6 |
Hydrogen bond donors count: | 1 |
Polar surface area: | 59.827 |
InChI Key: | SDZSCEXQNHFNKX-UHFFFAOYSA-N |