6,6-diethyl-9-(ethylsulfanyl)-11-(propan-2-yl)-6,11-dihydrobenzo[h][1,2,4]triazolo[3,4-b]quinazolin-7(5H)-one
Chemical Structure Depiction of
6,6-diethyl-9-(ethylsulfanyl)-11-(propan-2-yl)-6,11-dihydrobenzo[h][1,2,4]triazolo[3,4-b]quinazolin-7(5H)-one
6,6-diethyl-9-(ethylsulfanyl)-11-(propan-2-yl)-6,11-dihydrobenzo[h][1,2,4]triazolo[3,4-b]quinazolin-7(5H)-one
Compound characteristics
| Compound ID: | D461-0559 |
| Compound Name: | 6,6-diethyl-9-(ethylsulfanyl)-11-(propan-2-yl)-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: | CCC1(CC)Cc2ccccc2C2=C1C(N1C(=N2)N(C(C)C)N=C1SCC)=O |
| Stereo: | ACHIRAL |
| logP: | 5.3797 |
| logD: | 5.3741 |
| logSw: | -5.3958 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 41.753 |
| InChI Key: | BPHDPBKVOMGCMZ-UHFFFAOYSA-N |