N-[(2H-1,3-benzodioxol-5-yl)methyl]-3-(3,4-dimethylbenzene-1-sulfonyl)[1,2,3]triazolo[1,5-a]quinazolin-5-amine
Chemical Structure Depiction of
N-[(2H-1,3-benzodioxol-5-yl)methyl]-3-(3,4-dimethylbenzene-1-sulfonyl)[1,2,3]triazolo[1,5-a]quinazolin-5-amine
N-[(2H-1,3-benzodioxol-5-yl)methyl]-3-(3,4-dimethylbenzene-1-sulfonyl)[1,2,3]triazolo[1,5-a]quinazolin-5-amine
Compound characteristics
| Compound ID: | C718-0149 |
| Compound Name: | N-[(2H-1,3-benzodioxol-5-yl)methyl]-3-(3,4-dimethylbenzene-1-sulfonyl)[1,2,3]triazolo[1,5-a]quinazolin-5-amine |
| Molecular Weight: | 487.54 |
| Molecular Formula: | C25 H21 N5 O4 S |
| Smiles: | Cc1ccc(cc1C)S(c1c2nc(c3ccccc3n2nn1)NCc1ccc2c(c1)OCO2)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.9688 |
| logD: | 4.9688 |
| logSw: | -4.9252 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 89.732 |
| InChI Key: | MXCAJYFSENXZFO-UHFFFAOYSA-N |