9-(butylsulfanyl)-6,6-diethyl-11-methyl-6,11-dihydrobenzo[h][1,2,4]triazolo[3,4-b]quinazolin-7(5H)-one
Chemical Structure Depiction of
9-(butylsulfanyl)-6,6-diethyl-11-methyl-6,11-dihydrobenzo[h][1,2,4]triazolo[3,4-b]quinazolin-7(5H)-one
9-(butylsulfanyl)-6,6-diethyl-11-methyl-6,11-dihydrobenzo[h][1,2,4]triazolo[3,4-b]quinazolin-7(5H)-one
Compound characteristics
| Compound ID: | D461-0158 |
| Compound Name: | 9-(butylsulfanyl)-6,6-diethyl-11-methyl-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: | CCCCSC1=NN(C)C2=NC3=C(C(N12)=O)C(CC)(CC)Cc1ccccc13 |
| Stereo: | ACHIRAL |
| logP: | 5.334 |
| logD: | 5.3233 |
| logSw: | -5.227 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 42.519 |
| InChI Key: | MAZLXAISPUUXNI-UHFFFAOYSA-N |