4-[5-(2H-1,3-benzodioxol-5-yl)-2H-tetrazol-2-yl]butanenitrile
Chemical Structure Depiction of
4-[5-(2H-1,3-benzodioxol-5-yl)-2H-tetrazol-2-yl]butanenitrile
4-[5-(2H-1,3-benzodioxol-5-yl)-2H-tetrazol-2-yl]butanenitrile
Compound characteristics
| Compound ID: | 8018-9513 |
| Compound Name: | 4-[5-(2H-1,3-benzodioxol-5-yl)-2H-tetrazol-2-yl]butanenitrile |
| Molecular Weight: | 257.25 |
| Molecular Formula: | C12 H11 N5 O2 |
| Smiles: | C(CC#N)Cn1nc(c2ccc3c(c2)OCO3)nn1 |
| Stereo: | ACHIRAL |
| logP: | 0.935 |
| logD: | 0.935 |
| logSw: | -1.4528 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 73.199 |
| InChI Key: | CEQLFYWKHZTBCM-UHFFFAOYSA-N |