2-{[4-(bicyclo[2.2.1]heptan-2-yl)-5-sulfanyl-4H-1,2,4-triazol-3-yl]methyl}phthalazin-1(2H)-one
Chemical Structure Depiction of
2-{[4-(bicyclo[2.2.1]heptan-2-yl)-5-sulfanyl-4H-1,2,4-triazol-3-yl]methyl}phthalazin-1(2H)-one
2-{[4-(bicyclo[2.2.1]heptan-2-yl)-5-sulfanyl-4H-1,2,4-triazol-3-yl]methyl}phthalazin-1(2H)-one
Compound characteristics
| Compound ID: | 8017-1133 |
| Compound Name: | 2-{[4-(bicyclo[2.2.1]heptan-2-yl)-5-sulfanyl-4H-1,2,4-triazol-3-yl]methyl}phthalazin-1(2H)-one |
| Molecular Weight: | 353.44 |
| Molecular Formula: | C18 H19 N5 O S |
| Smiles: | C1CC2CC1CC2n1c(CN2C(c3ccccc3C=N2)=O)nnc1S |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 1.9208 |
| logD: | 1.832 |
| logSw: | -2.76 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 52.648 |
| InChI Key: | BFJFTNGXOFLVKV-UHFFFAOYSA-N |