9-(ethylsulfanyl)-6,6-dimethyl-11-(propan-2-yl)-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-(propan-2-yl)-6,11-dihydrobenzo[h][1,2,4]triazolo[3,4-b]quinazolin-7(5H)-one
9-(ethylsulfanyl)-6,6-dimethyl-11-(propan-2-yl)-6,11-dihydrobenzo[h][1,2,4]triazolo[3,4-b]quinazolin-7(5H)-one
Compound characteristics
| Compound ID: | D461-0020 |
| Compound Name: | 9-(ethylsulfanyl)-6,6-dimethyl-11-(propan-2-yl)-6,11-dihydrobenzo[h][1,2,4]triazolo[3,4-b]quinazolin-7(5H)-one |
| Molecular Weight: | 368.5 |
| Molecular Formula: | C20 H24 N4 O S |
| Smiles: | CCSC1=NN(C(C)C)C2=NC3=C(C(N12)=O)C(C)(C)Cc1ccccc13 |
| Stereo: | ACHIRAL |
| logP: | 4.8136 |
| logD: | 4.7935 |
| logSw: | -4.6716 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 41.753 |
| InChI Key: | OQWMBGDWEFETJG-UHFFFAOYSA-N |