2-(ethanesulfinyl)-8,8-dimethyl-8,9-dihydro[1,2,4]triazolo[5,1-c][1,2,4]benzotriazin-6-ol
Chemical Structure Depiction of
2-(ethanesulfinyl)-8,8-dimethyl-8,9-dihydro[1,2,4]triazolo[5,1-c][1,2,4]benzotriazin-6-ol
2-(ethanesulfinyl)-8,8-dimethyl-8,9-dihydro[1,2,4]triazolo[5,1-c][1,2,4]benzotriazin-6-ol
Compound characteristics
| Compound ID: | Y021-3445 |
| Compound Name: | 2-(ethanesulfinyl)-8,8-dimethyl-8,9-dihydro[1,2,4]triazolo[5,1-c][1,2,4]benzotriazin-6-ol |
| Molecular Weight: | 293.34 |
| Molecular Formula: | C12 H15 N5 O2 S |
| Smiles: | CCS(c1nc2N=NC3C(=CC(C)(C)CC=3n2n1)O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.2279 |
| logD: | 2.0813 |
| logSw: | -1.9099 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 79.838 |
| InChI Key: | GBUYWUDSQRGIRR-UHFFFAOYSA-N |