N-{4-[2-(3-bromoanilino)-2-oxoethyl]-1,3-thiazol-2-yl}-2H-1,3-benzodioxole-5-carboxamide
Chemical Structure Depiction of
N-{4-[2-(3-bromoanilino)-2-oxoethyl]-1,3-thiazol-2-yl}-2H-1,3-benzodioxole-5-carboxamide
N-{4-[2-(3-bromoanilino)-2-oxoethyl]-1,3-thiazol-2-yl}-2H-1,3-benzodioxole-5-carboxamide
Compound characteristics
| Compound ID: | F186-0841 |
| Compound Name: | N-{4-[2-(3-bromoanilino)-2-oxoethyl]-1,3-thiazol-2-yl}-2H-1,3-benzodioxole-5-carboxamide |
| Molecular Weight: | 460.3 |
| Molecular Formula: | C19 H14 Br N3 O4 S |
| Smiles: | C(C(Nc1cccc(c1)[Br])=O)c1csc(NC(c2ccc3c(c2)OCO3)=O)n1 |
| Stereo: | ACHIRAL |
| logP: | 4.4702 |
| logD: | 4.4613 |
| logSw: | -4.5257 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 73.865 |
| InChI Key: | NMIQEDBUFVXVBN-UHFFFAOYSA-N |