ethyl [(7-oxo-7,11-dihydro-5H-spiro[benzo[h][1,2,4]triazolo[3,4-b]quinazoline-6,1'-cyclopentan]-9-yl)sulfanyl]acetate
Chemical Structure Depiction of
ethyl [(7-oxo-7,11-dihydro-5H-spiro[benzo[h][1,2,4]triazolo[3,4-b]quinazoline-6,1'-cyclopentan]-9-yl)sulfanyl]acetate
ethyl [(7-oxo-7,11-dihydro-5H-spiro[benzo[h][1,2,4]triazolo[3,4-b]quinazoline-6,1'-cyclopentan]-9-yl)sulfanyl]acetate
Compound characteristics
| Compound ID: | D325-0548 |
| Compound Name: | ethyl [(7-oxo-7,11-dihydro-5H-spiro[benzo[h][1,2,4]triazolo[3,4-b]quinazoline-6,1'-cyclopentan]-9-yl)sulfanyl]acetate |
| Molecular Weight: | 410.49 |
| Molecular Formula: | C21 H22 N4 O3 S |
| Smiles: | CCOC(CSC1=NNC2=NC3=C(C(N12)=O)C1(CCCC1)Cc1ccccc13)=O |
| Stereo: | ACHIRAL |
| logP: | 3.4664 |
| logD: | 3.0058 |
| logSw: | -3.6215 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 72.104 |
| InChI Key: | GVNCPTZNKPFICS-UHFFFAOYSA-N |