2-{[4-(4-bromophenyl)-5-(pyridin-3-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}-1-(3-nitrophenyl)ethan-1-one
Chemical Structure Depiction of
2-{[4-(4-bromophenyl)-5-(pyridin-3-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}-1-(3-nitrophenyl)ethan-1-one
2-{[4-(4-bromophenyl)-5-(pyridin-3-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}-1-(3-nitrophenyl)ethan-1-one
Compound characteristics
| Compound ID: | K822-0209 |
| Compound Name: | 2-{[4-(4-bromophenyl)-5-(pyridin-3-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}-1-(3-nitrophenyl)ethan-1-one |
| Molecular Weight: | 496.34 |
| Molecular Formula: | C21 H14 Br N5 O3 S |
| Smiles: | C(C(c1cccc(c1)[N+]([O-])=O)=O)Sc1nnc(c2cccnc2)n1c1ccc(cc1)[Br] |
| Stereo: | ACHIRAL |
| logP: | 4.449 |
| logD: | 4.4448 |
| logSw: | -4.3189 |
| Hydrogen bond acceptors count: | 10 |
| Polar surface area: | 80.859 |
| InChI Key: | LSWUWHQLPDNITD-UHFFFAOYSA-N |