6,11-diethyl-6-methyl-9-[(propan-2-yl)sulfanyl]-6,11-dihydrobenzo[h][1,2,4]triazolo[3,4-b]quinazolin-7(5H)-one
Chemical Structure Depiction of
6,11-diethyl-6-methyl-9-[(propan-2-yl)sulfanyl]-6,11-dihydrobenzo[h][1,2,4]triazolo[3,4-b]quinazolin-7(5H)-one
6,11-diethyl-6-methyl-9-[(propan-2-yl)sulfanyl]-6,11-dihydrobenzo[h][1,2,4]triazolo[3,4-b]quinazolin-7(5H)-one
Compound characteristics
| Compound ID: | D461-0488 |
| Compound Name: | 6,11-diethyl-6-methyl-9-[(propan-2-yl)sulfanyl]-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: | CCC1(C)Cc2ccccc2C2=C1C(N1C(=N2)N(CC)N=C1SC(C)C)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.7004 |
| logD: | 4.6716 |
| logSw: | -4.5214 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 42.565 |
| InChI Key: | IYSCWSCBSMNUGU-NRFANRHFSA-N |