11-butyl-6-ethyl-6-methyl-9-(methylsulfanyl)-6,11-dihydrobenzo[h][1,2,4]triazolo[3,4-b]quinazolin-7(5H)-one
Chemical Structure Depiction of
11-butyl-6-ethyl-6-methyl-9-(methylsulfanyl)-6,11-dihydrobenzo[h][1,2,4]triazolo[3,4-b]quinazolin-7(5H)-one
11-butyl-6-ethyl-6-methyl-9-(methylsulfanyl)-6,11-dihydrobenzo[h][1,2,4]triazolo[3,4-b]quinazolin-7(5H)-one
Compound characteristics
| Compound ID: | D461-0024 |
| Compound Name: | 11-butyl-6-ethyl-6-methyl-9-(methylsulfanyl)-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: | CCCCN1C2=NC3=C(C(N2C(=N1)SC)=O)C(C)(CC)Cc1ccccc13 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.7587 |
| logD: | 4.7571 |
| logSw: | -4.5081 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 42.819 |
| InChI Key: | XSZYKDPINSLNBO-NRFANRHFSA-N |