9-(ethylsulfanyl)-6,6-dimethyl-11-(2-methylpropyl)-6,11-dihydrobenzo[h][1,2,4]triazolo[3,4-b]quinazolin-7(5H)-one
Chemical Structure Depiction of
9-(ethylsulfanyl)-6,6-dimethyl-11-(2-methylpropyl)-6,11-dihydrobenzo[h][1,2,4]triazolo[3,4-b]quinazolin-7(5H)-one
9-(ethylsulfanyl)-6,6-dimethyl-11-(2-methylpropyl)-6,11-dihydrobenzo[h][1,2,4]triazolo[3,4-b]quinazolin-7(5H)-one
Compound characteristics
| Compound ID: | D461-0029 |
| Compound Name: | 9-(ethylsulfanyl)-6,6-dimethyl-11-(2-methylpropyl)-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: | CCSC1=NN(CC(C)C)C2=NC3=C(C(N12)=O)C(C)(C)Cc1ccccc13 |
| Stereo: | ACHIRAL |
| logP: | 5.0295 |
| logD: | 5.0217 |
| logSw: | -4.7256 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 42.84 |
| InChI Key: | GRKZKKMVYSAFNM-UHFFFAOYSA-N |