1-{4-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-1,4-diazepan-1-yl}-2-(thiophen-3-yl)ethan-1-one
Chemical Structure Depiction of
1-{4-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-1,4-diazepan-1-yl}-2-(thiophen-3-yl)ethan-1-one
1-{4-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-1,4-diazepan-1-yl}-2-(thiophen-3-yl)ethan-1-one
Compound characteristics
| Compound ID: | S259-1508 |
| Compound Name: | 1-{4-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-1,4-diazepan-1-yl}-2-(thiophen-3-yl)ethan-1-one |
| Molecular Weight: | 333.45 |
| Molecular Formula: | C17 H23 N3 O2 S |
| Smiles: | Cc1c(CN2CCCN(CC2)C(Cc2ccsc2)=O)c(C)on1 |
| Stereo: | ACHIRAL |
| logP: | 1.8479 |
| logD: | -0.1634 |
| logSw: | -2.2066 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 43.287 |
| InChI Key: | SZMUCTAZILPYGF-UHFFFAOYSA-N |