11-butyl-6,6-dimethyl-9-(methylsulfanyl)-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-(methylsulfanyl)-6,11-dihydrobenzo[h][1,2,4]triazolo[3,4-b]quinazolin-7(5H)-one
11-butyl-6,6-dimethyl-9-(methylsulfanyl)-6,11-dihydrobenzo[h][1,2,4]triazolo[3,4-b]quinazolin-7(5H)-one
Compound characteristics
| Compound ID: | D461-0022 |
| Compound Name: | 11-butyl-6,6-dimethyl-9-(methylsulfanyl)-6,11-dihydrobenzo[h][1,2,4]triazolo[3,4-b]quinazolin-7(5H)-one |
| Molecular Weight: | 368.5 |
| Molecular Formula: | C20 H24 N4 O S |
| Smiles: | CCCCN1C2=NC3=C(C(N2C(=N1)SC)=O)C(C)(C)Cc1ccccc13 |
| Stereo: | ACHIRAL |
| logP: | 4.5678 |
| logD: | 4.5647 |
| logSw: | -4.3894 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 42.819 |
| InChI Key: | ZLLPXMQFLOZSPH-UHFFFAOYSA-N |