6,6,11-trimethyl-9-(methylsulfanyl)-6,11-dihydrobenzo[h][1,2,4]triazolo[3,4-b]quinazolin-7(5H)-one
Chemical Structure Depiction of
6,6,11-trimethyl-9-(methylsulfanyl)-6,11-dihydrobenzo[h][1,2,4]triazolo[3,4-b]quinazolin-7(5H)-one
6,6,11-trimethyl-9-(methylsulfanyl)-6,11-dihydrobenzo[h][1,2,4]triazolo[3,4-b]quinazolin-7(5H)-one
Compound characteristics
| Compound ID: | D461-0001 |
| Compound Name: | 6,6,11-trimethyl-9-(methylsulfanyl)-6,11-dihydrobenzo[h][1,2,4]triazolo[3,4-b]quinazolin-7(5H)-one |
| Molecular Weight: | 326.42 |
| Molecular Formula: | C17 H18 N4 O S |
| Smiles: | CC1(C)Cc2ccccc2C2=C1C(N1C(=N2)N(C)N=C1SC)=O |
| Stereo: | ACHIRAL |
| logP: | 3.1995 |
| logD: | 3.1805 |
| logSw: | -3.4165 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 42.519 |
| InChI Key: | JPJDAFRDINMSBO-UHFFFAOYSA-N |