5-{[(3-chlorophenyl)methyl]sulfanyl}-2-(4-nitrophenyl)[1,2,4]triazolo[1,5-c]quinazoline
Chemical Structure Depiction of
5-{[(3-chlorophenyl)methyl]sulfanyl}-2-(4-nitrophenyl)[1,2,4]triazolo[1,5-c]quinazoline
5-{[(3-chlorophenyl)methyl]sulfanyl}-2-(4-nitrophenyl)[1,2,4]triazolo[1,5-c]quinazoline
Compound characteristics
| Compound ID: | K280-0134 |
| Compound Name: | 5-{[(3-chlorophenyl)methyl]sulfanyl}-2-(4-nitrophenyl)[1,2,4]triazolo[1,5-c]quinazoline |
| Molecular Weight: | 447.9 |
| Molecular Formula: | C22 H14 Cl N5 O2 S |
| Smiles: | C(c1cccc(c1)[Cl])Sc1nc2ccccc2c2nc(c3ccc(cc3)[N+]([O-])=O)nn12 |
| Stereo: | ACHIRAL |
| logP: | 6.3194 |
| logD: | 6.3064 |
| logSw: | -6.5773 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 63.179 |
| InChI Key: | LTMOIVMQRKHLJE-UHFFFAOYSA-N |