3-[(azepan-1-yl)methyl]-5-(4-methylphenyl)-1,3,4-oxadiazole-2(3H)-thione
Chemical Structure Depiction of
3-[(azepan-1-yl)methyl]-5-(4-methylphenyl)-1,3,4-oxadiazole-2(3H)-thione
3-[(azepan-1-yl)methyl]-5-(4-methylphenyl)-1,3,4-oxadiazole-2(3H)-thione
Compound characteristics
| Compound ID: | 8008-2956 |
| Compound Name: | 3-[(azepan-1-yl)methyl]-5-(4-methylphenyl)-1,3,4-oxadiazole-2(3H)-thione |
| Molecular Weight: | 303.42 |
| Molecular Formula: | C16 H21 N3 O S |
| Smiles: | Cc1ccc(cc1)C1=NN(CN2CCCCCC2)C(O1)=S |
| Stereo: | ACHIRAL |
| logP: | 4.0136 |
| logD: | 2.8395 |
| logSw: | -4.0036 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 28.9461 |
| InChI Key: | MHAZCHDVLQKHNJ-UHFFFAOYSA-N |