1-[4-benzoyl-5-(3-methyl-1,2,4-oxadiazol-5-yl)-1,4-diazepan-1-yl]-2-(thiophen-2-yl)ethan-1-one
Chemical Structure Depiction of
1-[4-benzoyl-5-(3-methyl-1,2,4-oxadiazol-5-yl)-1,4-diazepan-1-yl]-2-(thiophen-2-yl)ethan-1-one
1-[4-benzoyl-5-(3-methyl-1,2,4-oxadiazol-5-yl)-1,4-diazepan-1-yl]-2-(thiophen-2-yl)ethan-1-one
Compound characteristics
| Compound ID: | S990-0737 |
| Compound Name: | 1-[4-benzoyl-5-(3-methyl-1,2,4-oxadiazol-5-yl)-1,4-diazepan-1-yl]-2-(thiophen-2-yl)ethan-1-one |
| Molecular Weight: | 410.49 |
| Molecular Formula: | C21 H22 N4 O3 S |
| Smiles: | Cc1nc(C2CCN(CCN2C(c2ccccc2)=O)C(Cc2cccs2)=O)on1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.3538 |
| logD: | 2.3538 |
| logSw: | -2.4424 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 65.149 |
| InChI Key: | VPDBHRRXFVPDJK-GOSISDBHSA-N |