2-[(4-methyl-5-oxo-5,7-dihydro-4H-spiro[benzo[h][1,2,4]triazolo[4,3-a]quinazoline-6,1'-cyclohexan]-1-yl)sulfanyl]acetamide
Chemical Structure Depiction of
2-[(4-methyl-5-oxo-5,7-dihydro-4H-spiro[benzo[h][1,2,4]triazolo[4,3-a]quinazoline-6,1'-cyclohexan]-1-yl)sulfanyl]acetamide
2-[(4-methyl-5-oxo-5,7-dihydro-4H-spiro[benzo[h][1,2,4]triazolo[4,3-a]quinazoline-6,1'-cyclohexan]-1-yl)sulfanyl]acetamide
Compound characteristics
| Compound ID: | 8013-3637 |
| Compound Name: | 2-[(4-methyl-5-oxo-5,7-dihydro-4H-spiro[benzo[h][1,2,4]triazolo[4,3-a]quinazoline-6,1'-cyclohexan]-1-yl)sulfanyl]acetamide |
| Molecular Weight: | 409.51 |
| Molecular Formula: | C21 H23 N5 O2 S |
| Smiles: | CN1C(C2=C(c3ccccc3CC23CCCCC3)n2c1nnc2SCC(N)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.4448 |
| logD: | 2.4448 |
| logSw: | -2.6948 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 73.084 |
| InChI Key: | YIUCHZVTABFAAU-UHFFFAOYSA-N |