6,6-dimethyl-9-sulfanyl-6,12-dihydrobenzo[h][1,2,4]triazolo[3,4-b]quinazolin-7(5H)-one
Chemical Structure Depiction of
6,6-dimethyl-9-sulfanyl-6,12-dihydrobenzo[h][1,2,4]triazolo[3,4-b]quinazolin-7(5H)-one
6,6-dimethyl-9-sulfanyl-6,12-dihydrobenzo[h][1,2,4]triazolo[3,4-b]quinazolin-7(5H)-one
Compound characteristics
| Compound ID: | 5585-0391 |
| Compound Name: | 6,6-dimethyl-9-sulfanyl-6,12-dihydrobenzo[h][1,2,4]triazolo[3,4-b]quinazolin-7(5H)-one |
| Molecular Weight: | 298.36 |
| Molecular Formula: | C15 H14 N4 O S |
| Smiles: | CC1(C)Cc2ccccc2C2=C1C(n1c(N2)nnc1S)=O |
| Stereo: | ACHIRAL |
| logP: | 2.289 |
| logD: | 1.7695 |
| logSw: | -3.1104 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 50.533 |
| InChI Key: | PHWBWILDBROEBT-UHFFFAOYSA-N |