N,N-bis(cyanomethyl)-2H-1,3-benzodioxole-5-carboxamide
Chemical Structure Depiction of
N,N-bis(cyanomethyl)-2H-1,3-benzodioxole-5-carboxamide
N,N-bis(cyanomethyl)-2H-1,3-benzodioxole-5-carboxamide
Compound characteristics
| Compound ID: | Y032-0291 |
| Compound Name: | N,N-bis(cyanomethyl)-2H-1,3-benzodioxole-5-carboxamide |
| Molecular Weight: | 243.22 |
| Molecular Formula: | C12 H9 N3 O3 |
| Smiles: | C(C#N)N(CC#N)C(c1ccc2c(c1)OCO2)=O |
| Stereo: | ACHIRAL |
| logP: | 0.2509 |
| logD: | 0.2509 |
| logSw: | -1.6026 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 68.777 |
| InChI Key: | XLSZBTZIUVJZJA-UHFFFAOYSA-N |