9-(ethylsulfanyl)-6,6-dimethyl-11-(2-methylprop-2-en-1-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-(2-methylprop-2-en-1-yl)-6,11-dihydrobenzo[h][1,2,4]triazolo[3,4-b]quinazolin-7(5H)-one
9-(ethylsulfanyl)-6,6-dimethyl-11-(2-methylprop-2-en-1-yl)-6,11-dihydrobenzo[h][1,2,4]triazolo[3,4-b]quinazolin-7(5H)-one
Compound characteristics
| Compound ID: | D461-0053 |
| Compound Name: | 9-(ethylsulfanyl)-6,6-dimethyl-11-(2-methylprop-2-en-1-yl)-6,11-dihydrobenzo[h][1,2,4]triazolo[3,4-b]quinazolin-7(5H)-one |
| Molecular Weight: | 380.51 |
| Molecular Formula: | C21 H24 N4 O S |
| Smiles: | CCSC1=NN(CC(C)=C)C2=NC3=C(C(N12)=O)C(C)(C)Cc1ccccc13 |
| Stereo: | ACHIRAL |
| logP: | 4.9052 |
| logD: | 4.9 |
| logSw: | -4.7036 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 42.84 |
| InChI Key: | CLFXRWMALYMIAY-UHFFFAOYSA-N |