9-(ethylsulfanyl)-6,6-dimethyl-11-pentyl-6,11-dihydrobenzo[h][1,2,4]triazolo[3,4-b]quinazolin-7(5H)-one
Chemical Structure Depiction of
9-(ethylsulfanyl)-6,6-dimethyl-11-pentyl-6,11-dihydrobenzo[h][1,2,4]triazolo[3,4-b]quinazolin-7(5H)-one
9-(ethylsulfanyl)-6,6-dimethyl-11-pentyl-6,11-dihydrobenzo[h][1,2,4]triazolo[3,4-b]quinazolin-7(5H)-one
Compound characteristics
| Compound ID: | D461-0035 |
| Compound Name: | 9-(ethylsulfanyl)-6,6-dimethyl-11-pentyl-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: | CCCCCN1C2=NC3=C(C(N2C(=N1)SCC)=O)C(C)(C)Cc1ccccc13 |
| Stereo: | ACHIRAL |
| logP: | 5.7285 |
| logD: | 5.7224 |
| logSw: | -5.4034 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 42.819 |
| InChI Key: | KPZAVUHJBNJEPL-UHFFFAOYSA-N |