N-(2,4-dimethylphenyl)-2-[(4-ethyl-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
N-(2,4-dimethylphenyl)-2-[(4-ethyl-5-oxo-5,7-dihydro-4H-spiro[benzo[h][1,2,4]triazolo[4,3-a]quinazoline-6,1'-cyclohexan]-1-yl)sulfanyl]acetamide
N-(2,4-dimethylphenyl)-2-[(4-ethyl-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: | 8016-0587 |
| Compound Name: | N-(2,4-dimethylphenyl)-2-[(4-ethyl-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: | 527.69 |
| Molecular Formula: | C30 H33 N5 O2 S |
| Smiles: | CCN1C(C2=C(c3ccccc3CC23CCCCC3)n2c1nnc2SCC(Nc1ccc(C)cc1C)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 5.6325 |
| logD: | 5.6325 |
| logSw: | -5.1774 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 61.835 |
| InChI Key: | OUTXBHKHSMRDQH-UHFFFAOYSA-N |