N-[4-acetyl-5-(6-nitro-2H-1,3-benzodioxol-5-yl)-4,5-dihydro-1,3,4-thiadiazol-2-yl]acetamide
Chemical Structure Depiction of
N-[4-acetyl-5-(6-nitro-2H-1,3-benzodioxol-5-yl)-4,5-dihydro-1,3,4-thiadiazol-2-yl]acetamide
N-[4-acetyl-5-(6-nitro-2H-1,3-benzodioxol-5-yl)-4,5-dihydro-1,3,4-thiadiazol-2-yl]acetamide
Compound characteristics
| Compound ID: | C185-0025 |
| Compound Name: | N-[4-acetyl-5-(6-nitro-2H-1,3-benzodioxol-5-yl)-4,5-dihydro-1,3,4-thiadiazol-2-yl]acetamide |
| Molecular Weight: | 352.32 |
| Molecular Formula: | C13 H12 N4 O6 S |
| Smiles: | CC(NC1=NN(C(c2cc3c(cc2[N+]([O-])=O)OCO3)S1)C(C)=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 1.4241 |
| logD: | 1.3777 |
| logSw: | -2.5948 |
| Hydrogen bond acceptors count: | 12 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 101.339 |
| InChI Key: | OMXDREQGNMGVMI-LBPRGKRZSA-N |