6,6,11-triethyl-9-(ethylsulfanyl)-6,11-dihydrobenzo[h][1,2,4]triazolo[3,4-b]quinazolin-7(5H)-one
Chemical Structure Depiction of
6,6,11-triethyl-9-(ethylsulfanyl)-6,11-dihydrobenzo[h][1,2,4]triazolo[3,4-b]quinazolin-7(5H)-one
6,6,11-triethyl-9-(ethylsulfanyl)-6,11-dihydrobenzo[h][1,2,4]triazolo[3,4-b]quinazolin-7(5H)-one
Compound characteristics
| Compound ID: | D461-0012 |
| Compound Name: | 6,6,11-triethyl-9-(ethylsulfanyl)-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(CC)Cc2ccccc2C2=C1C(N1C(=N2)N(CC)N=C1SCC)=O |
| Stereo: | ACHIRAL |
| logP: | 4.6861 |
| logD: | 4.6783 |
| logSw: | -4.5184 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 42.565 |
| InChI Key: | OKFIICNBMMZVML-UHFFFAOYSA-N |