{1-[1-(2,3-dihydro-1,4-benzodioxine-6-sulfonyl)azetidin-3-yl]-1H-1,2,3-triazol-4-yl}(pyrrolidin-1-yl)methanone
Chemical Structure Depiction of
{1-[1-(2,3-dihydro-1,4-benzodioxine-6-sulfonyl)azetidin-3-yl]-1H-1,2,3-triazol-4-yl}(pyrrolidin-1-yl)methanone
{1-[1-(2,3-dihydro-1,4-benzodioxine-6-sulfonyl)azetidin-3-yl]-1H-1,2,3-triazol-4-yl}(pyrrolidin-1-yl)methanone
Compound characteristics
| Compound ID: | S724-0623 |
| Compound Name: | {1-[1-(2,3-dihydro-1,4-benzodioxine-6-sulfonyl)azetidin-3-yl]-1H-1,2,3-triazol-4-yl}(pyrrolidin-1-yl)methanone |
| Molecular Weight: | 419.46 |
| Molecular Formula: | C18 H21 N5 O5 S |
| Smiles: | C1CCN(C1)C(c1cn(C2CN(C2)S(c2ccc3c(c2)OCCO3)(=O)=O)nn1)=O |
| Stereo: | ACHIRAL |
| logP: | 0.0417 |
| logD: | 0.0417 |
| logSw: | -2.1034 |
| Hydrogen bond acceptors count: | 11 |
| Polar surface area: | 90.991 |
| InChI Key: | IVCIESZHVCAASW-UHFFFAOYSA-N |