N-[(2H-1,3-benzodioxol-5-yl)methyl]-3-(2,5-dimethylbenzene-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-(2,5-dimethylbenzene-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-(2,5-dimethylbenzene-1-sulfonyl)thieno[2,3-e][1,2,3]triazolo[1,5-a]pyrimidin-5-amine
Compound characteristics
| Compound ID: | E565-0639 |
| Compound Name: | N-[(2H-1,3-benzodioxol-5-yl)methyl]-3-(2,5-dimethylbenzene-1-sulfonyl)thieno[2,3-e][1,2,3]triazolo[1,5-a]pyrimidin-5-amine |
| Molecular Weight: | 493.56 |
| Molecular Formula: | C23 H19 N5 O4 S2 |
| Smiles: | Cc1ccc(C)c(c1)S(c1c2nc(c3c(ccs3)n2nn1)NCc1ccc2c(c1)OCO2)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.499 |
| logD: | 4.499 |
| logSw: | -4.3084 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 90.751 |
| InChI Key: | LGZWMHWSTLSKKL-UHFFFAOYSA-N |