1-{7-(3-methyl-1,2,4-oxadiazol-5-yl)-4-[(5-methylthiophen-2-yl)methyl]-1,4-diazepan-1-yl}ethan-1-one
Chemical Structure Depiction of
1-{7-(3-methyl-1,2,4-oxadiazol-5-yl)-4-[(5-methylthiophen-2-yl)methyl]-1,4-diazepan-1-yl}ethan-1-one
1-{7-(3-methyl-1,2,4-oxadiazol-5-yl)-4-[(5-methylthiophen-2-yl)methyl]-1,4-diazepan-1-yl}ethan-1-one
Compound characteristics
| Compound ID: | S990-0530 |
| Compound Name: | 1-{7-(3-methyl-1,2,4-oxadiazol-5-yl)-4-[(5-methylthiophen-2-yl)methyl]-1,4-diazepan-1-yl}ethan-1-one |
| Molecular Weight: | 334.44 |
| Molecular Formula: | C16 H22 N4 O2 S |
| Smiles: | CC(N1CCN(CCC1c1nc(C)no1)Cc1ccc(C)s1)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 1.9722 |
| logD: | 1.2568 |
| logSw: | -2.3225 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 53.5 |
| InChI Key: | NWRWYUWBYIHDFZ-OAHLLOKOSA-N |