2-{[4-(3-methylphenyl)-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-(3-methylphenyl)-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-(3-methylphenyl)-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: | 4232-0001 |
| Compound Name: | 2-{[4-(3-methylphenyl)-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: | 485.61 |
| Molecular Formula: | C27 H27 N5 O2 S |
| Smiles: | Cc1cccc(c1)N1C(C2=C(c3ccccc3CC23CCCCC3)n2c1nnc2SCC(N)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.3074 |
| logD: | 4.3074 |
| logSw: | -4.5055 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 72.435 |
| InChI Key: | ZIEPKPQNBULFKX-UHFFFAOYSA-N |