5-amino-4-cyano-3-methyl-N'-[(6-nitro-2H-1,3-benzodioxol-5-yl)methylidene]thiophene-2-carbohydrazide
Chemical Structure Depiction of
5-amino-4-cyano-3-methyl-N'-[(6-nitro-2H-1,3-benzodioxol-5-yl)methylidene]thiophene-2-carbohydrazide
5-amino-4-cyano-3-methyl-N'-[(6-nitro-2H-1,3-benzodioxol-5-yl)methylidene]thiophene-2-carbohydrazide
Compound characteristics
| Compound ID: | 1692-0038 |
| Compound Name: | 5-amino-4-cyano-3-methyl-N'-[(6-nitro-2H-1,3-benzodioxol-5-yl)methylidene]thiophene-2-carbohydrazide |
| Molecular Weight: | 373.34 |
| Molecular Formula: | C15 H11 N5 O5 S |
| Smiles: | Cc1c(C#N)c(N)sc1C(N/N=C/c1cc2c(cc1[N+]([O-])=O)OCO2)=O |
| Stereo: | ACHIRAL |
| logP: | 2.2707 |
| logD: | 1.5697 |
| logSw: | -2.8452 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 124.083 |
| InChI Key: | NQSDFQPDDORKJC-UHFFFAOYSA-N |