6,6,11-trimethyl-9-(pentylsulfanyl)-6,11-dihydrobenzo[h][1,2,4]triazolo[3,4-b]quinazolin-7(5H)-one
Chemical Structure Depiction of
6,6,11-trimethyl-9-(pentylsulfanyl)-6,11-dihydrobenzo[h][1,2,4]triazolo[3,4-b]quinazolin-7(5H)-one
6,6,11-trimethyl-9-(pentylsulfanyl)-6,11-dihydrobenzo[h][1,2,4]triazolo[3,4-b]quinazolin-7(5H)-one
Compound characteristics
| Compound ID: | D461-0159 |
| Compound Name: | 6,6,11-trimethyl-9-(pentylsulfanyl)-6,11-dihydrobenzo[h][1,2,4]triazolo[3,4-b]quinazolin-7(5H)-one |
| Molecular Weight: | 382.53 |
| Molecular Formula: | C21 H26 N4 O S |
| Smiles: | CCCCCSC1=NN(C)C2=NC3=C(C(N12)=O)C(C)(C)Cc1ccccc13 |
| Stereo: | ACHIRAL |
| logP: | 5.4484 |
| logD: | 5.4112 |
| logSw: | -5.3424 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 42.519 |
| InChI Key: | DZXXRISNTJBLGU-UHFFFAOYSA-N |