6,6-diethyl-9-(ethylsulfanyl)-11-(prop-2-en-1-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-(prop-2-en-1-yl)-6,11-dihydrobenzo[h][1,2,4]triazolo[3,4-b]quinazolin-7(5H)-one
6,6-diethyl-9-(ethylsulfanyl)-11-(prop-2-en-1-yl)-6,11-dihydrobenzo[h][1,2,4]triazolo[3,4-b]quinazolin-7(5H)-one
Compound characteristics
| Compound ID: | D461-0051 |
| Compound Name: | 6,6-diethyl-9-(ethylsulfanyl)-11-(prop-2-en-1-yl)-6,11-dihydrobenzo[h][1,2,4]triazolo[3,4-b]quinazolin-7(5H)-one |
| Molecular Weight: | 394.54 |
| Molecular Formula: | C22 H26 N4 O S |
| Smiles: | CCC1(CC)Cc2ccccc2C2=C1C(N1C(=N2)N(CC=C)N=C1SCC)=O |
| Stereo: | ACHIRAL |
| logP: | 4.8669 |
| logD: | 4.8642 |
| logSw: | -4.6924 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 42.819 |
| InChI Key: | BTQWNTHFLQWMEA-UHFFFAOYSA-N |