N-[5-(2-{2-[(6-bromo-2H-1,3-benzodioxol-5-yl)methylidene]hydrazinyl}-2-oxoethyl)-1,3,4-thiadiazol-2-yl]propanamide
Chemical Structure Depiction of
N-[5-(2-{2-[(6-bromo-2H-1,3-benzodioxol-5-yl)methylidene]hydrazinyl}-2-oxoethyl)-1,3,4-thiadiazol-2-yl]propanamide
N-[5-(2-{2-[(6-bromo-2H-1,3-benzodioxol-5-yl)methylidene]hydrazinyl}-2-oxoethyl)-1,3,4-thiadiazol-2-yl]propanamide
Compound characteristics
| Compound ID: | 1067-0813 |
| Compound Name: | N-[5-(2-{2-[(6-bromo-2H-1,3-benzodioxol-5-yl)methylidene]hydrazinyl}-2-oxoethyl)-1,3,4-thiadiazol-2-yl]propanamide |
| Molecular Weight: | 440.27 |
| Molecular Formula: | C15 H14 Br N5 O4 S |
| Smiles: | CCC(Nc1nnc(CC(N/N=C/c2cc3c(cc2[Br])OCO3)=O)s1)=O |
| Stereo: | ACHIRAL |
| logP: | 2.363 |
| logD: | 2.344 |
| logSw: | -2.9523 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 99.646 |
| InChI Key: | RNLWGUYWQKGHID-UBKPWBPPSA-N |