2-{[5-(3-bromophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl}-1-(3-nitrophenyl)ethan-1-one
Chemical Structure Depiction of
2-{[5-(3-bromophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl}-1-(3-nitrophenyl)ethan-1-one
2-{[5-(3-bromophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl}-1-(3-nitrophenyl)ethan-1-one
Compound characteristics
Compound ID: | 8007-6975 |
Compound Name: | 2-{[5-(3-bromophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl}-1-(3-nitrophenyl)ethan-1-one |
Molecular Weight: | 420.24 |
Molecular Formula: | C16 H10 Br N3 O4 S |
Smiles: | C(C(c1cccc(c1)[N+]([O-])=O)=O)Sc1nnc(c2cccc(c2)[Br])o1 |
Stereo: | ACHIRAL |
logP: | 4.1567 |
logD: | 4.1567 |
logSw: | -4.4067 |
Hydrogen bond acceptors count: | 10 |
Polar surface area: | 76.692 |
InChI Key: | KKMWTAGKVLKYHN-UHFFFAOYSA-N |