N-[(2H-1,3-benzodioxol-5-yl)methyl]-3-(4-chlorobenzene-1-sulfonyl)thieno[2,3-e][1,2,3]triazolo[1,5-a]pyrimidin-5-amine
Chemical Structure Depiction of
N-[(2H-1,3-benzodioxol-5-yl)methyl]-3-(4-chlorobenzene-1-sulfonyl)thieno[2,3-e][1,2,3]triazolo[1,5-a]pyrimidin-5-amine
N-[(2H-1,3-benzodioxol-5-yl)methyl]-3-(4-chlorobenzene-1-sulfonyl)thieno[2,3-e][1,2,3]triazolo[1,5-a]pyrimidin-5-amine
Compound characteristics
| Compound ID: | E565-0291 |
| Compound Name: | N-[(2H-1,3-benzodioxol-5-yl)methyl]-3-(4-chlorobenzene-1-sulfonyl)thieno[2,3-e][1,2,3]triazolo[1,5-a]pyrimidin-5-amine |
| Molecular Weight: | 499.95 |
| Molecular Formula: | C21 H14 Cl N5 O4 S2 |
| Smiles: | C(c1ccc2c(c1)OCO2)Nc1c2c(ccs2)n2c(c(nn2)S(c2ccc(cc2)[Cl])(=O)=O)n1 |
| Stereo: | ACHIRAL |
| logP: | 4.4933 |
| logD: | 4.4933 |
| logSw: | -4.734 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 90.751 |
| InChI Key: | HZIWQSSOBNMAIS-UHFFFAOYSA-N |