11-benzyl-6,6-dimethyl-9-(methylsulfanyl)-6,11-dihydrobenzo[h][1,2,4]triazolo[3,4-b]quinazolin-7(5H)-one
Chemical Structure Depiction of
11-benzyl-6,6-dimethyl-9-(methylsulfanyl)-6,11-dihydrobenzo[h][1,2,4]triazolo[3,4-b]quinazolin-7(5H)-one
11-benzyl-6,6-dimethyl-9-(methylsulfanyl)-6,11-dihydrobenzo[h][1,2,4]triazolo[3,4-b]quinazolin-7(5H)-one
Compound characteristics
| Compound ID: | D461-0058 |
| Compound Name: | 11-benzyl-6,6-dimethyl-9-(methylsulfanyl)-6,11-dihydrobenzo[h][1,2,4]triazolo[3,4-b]quinazolin-7(5H)-one |
| Molecular Weight: | 402.52 |
| Molecular Formula: | C23 H22 N4 O S |
| Smiles: | CC1(C)Cc2ccccc2C2=C1C(N1C(=N2)N(Cc2ccccc2)N=C1SC)=O |
| Stereo: | ACHIRAL |
| logP: | 4.7748 |
| logD: | 4.758 |
| logSw: | -4.6971 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 42.569 |
| InChI Key: | HKYYUSGPKAXQAJ-UHFFFAOYSA-N |