11-butyl-6,6-dimethyl-9-(propylsulfanyl)-6,11-dihydrobenzo[h][1,2,4]triazolo[3,4-b]quinazolin-7(5H)-one
Chemical Structure Depiction of
11-butyl-6,6-dimethyl-9-(propylsulfanyl)-6,11-dihydrobenzo[h][1,2,4]triazolo[3,4-b]quinazolin-7(5H)-one
11-butyl-6,6-dimethyl-9-(propylsulfanyl)-6,11-dihydrobenzo[h][1,2,4]triazolo[3,4-b]quinazolin-7(5H)-one
Compound characteristics
| Compound ID: | D461-0292 |
| Compound Name: | 11-butyl-6,6-dimethyl-9-(propylsulfanyl)-6,11-dihydrobenzo[h][1,2,4]triazolo[3,4-b]quinazolin-7(5H)-one |
| Molecular Weight: | 396.55 |
| Molecular Formula: | C22 H28 N4 O S |
| Smiles: | CCCCN1C2=NC3=C(C(N2C(=N1)SCCC)=O)C(C)(C)Cc1ccccc13 |
| Stereo: | ACHIRAL |
| logP: | 5.4519 |
| logD: | 5.4458 |
| logSw: | -5.3403 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 42.819 |
| InChI Key: | LELBUJIKJBKMLF-UHFFFAOYSA-N |