2-benzyl-5-{[(4-nitrophenyl)methyl]sulfanyl}-1,3,4-oxadiazole
Chemical Structure Depiction of
2-benzyl-5-{[(4-nitrophenyl)methyl]sulfanyl}-1,3,4-oxadiazole
2-benzyl-5-{[(4-nitrophenyl)methyl]sulfanyl}-1,3,4-oxadiazole
Compound characteristics
Compound ID: | 8370-0237 |
Compound Name: | 2-benzyl-5-{[(4-nitrophenyl)methyl]sulfanyl}-1,3,4-oxadiazole |
Molecular Weight: | 327.36 |
Molecular Formula: | C16 H13 N3 O3 S |
Smiles: | C(c1ccccc1)c1nnc(o1)SCc1ccc(cc1)[N+]([O-])=O |
Stereo: | ACHIRAL |
logP: | 3.2481 |
logD: | 3.2481 |
logSw: | -3.4841 |
Hydrogen bond acceptors count: | 8 |
Polar surface area: | 63.111 |
InChI Key: | KYRAWAIIXYRHCZ-UHFFFAOYSA-N |