5-{[(4-chlorophenyl)methyl]sulfanyl}-2-(4-nitrophenyl)[1,2,4]triazolo[1,5-c]quinazoline
Chemical Structure Depiction of
5-{[(4-chlorophenyl)methyl]sulfanyl}-2-(4-nitrophenyl)[1,2,4]triazolo[1,5-c]quinazoline
5-{[(4-chlorophenyl)methyl]sulfanyl}-2-(4-nitrophenyl)[1,2,4]triazolo[1,5-c]quinazoline
Compound characteristics
| Compound ID: | K280-0135 |
| Compound Name: | 5-{[(4-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(c1ccc(cc1)[Cl])Sc1nc2ccccc2c2nc(c3ccc(cc3)[N+]([O-])=O)nn12 |
| Stereo: | ACHIRAL |
| logP: | 5.9811 |
| logD: | 5.9682 |
| logSw: | -6.4783 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 63.179 |
| InChI Key: | KXMWICMEILSQMJ-UHFFFAOYSA-N |