ethyl [(11-benzyl-6,6-dimethyl-7-oxo-5,6,7,11-tetrahydrobenzo[h][1,2,4]triazolo[3,4-b]quinazolin-9-yl)sulfanyl]acetate
Chemical Structure Depiction of
ethyl [(11-benzyl-6,6-dimethyl-7-oxo-5,6,7,11-tetrahydrobenzo[h][1,2,4]triazolo[3,4-b]quinazolin-9-yl)sulfanyl]acetate
ethyl [(11-benzyl-6,6-dimethyl-7-oxo-5,6,7,11-tetrahydrobenzo[h][1,2,4]triazolo[3,4-b]quinazolin-9-yl)sulfanyl]acetate
Compound characteristics
| Compound ID: | D461-0689 |
| Compound Name: | ethyl [(11-benzyl-6,6-dimethyl-7-oxo-5,6,7,11-tetrahydrobenzo[h][1,2,4]triazolo[3,4-b]quinazolin-9-yl)sulfanyl]acetate |
| Molecular Weight: | 474.58 |
| Molecular Formula: | C26 H26 N4 O3 S |
| Smiles: | CCOC(CSC1=NN(Cc2ccccc2)C2=NC3=C(C(N12)=O)C(C)(C)Cc1ccccc13)=O |
| Stereo: | ACHIRAL |
| logP: | 4.9115 |
| logD: | 4.9077 |
| logSw: | -4.7063 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 62.727 |
| InChI Key: | IGQSNQVWWVZQPA-UHFFFAOYSA-N |