6-{4-[2-(azepan-1-yl)-2-oxoethyl]piperidine-1-sulfonyl}-3-ethyl-1,3-benzoxazol-2(3H)-one
Chemical Structure Depiction of
6-{4-[2-(azepan-1-yl)-2-oxoethyl]piperidine-1-sulfonyl}-3-ethyl-1,3-benzoxazol-2(3H)-one
6-{4-[2-(azepan-1-yl)-2-oxoethyl]piperidine-1-sulfonyl}-3-ethyl-1,3-benzoxazol-2(3H)-one
Compound characteristics
| Compound ID: | L799-1633 |
| Compound Name: | 6-{4-[2-(azepan-1-yl)-2-oxoethyl]piperidine-1-sulfonyl}-3-ethyl-1,3-benzoxazol-2(3H)-one |
| Molecular Weight: | 449.57 |
| Molecular Formula: | C22 H31 N3 O5 S |
| Smiles: | CCN1C(=O)Oc2cc(ccc12)S(N1CCC(CC1)CC(N1CCCCCC1)=O)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.133 |
| logD: | 3.133 |
| logSw: | -3.5818 |
| Hydrogen bond acceptors count: | 10 |
| Polar surface area: | 71.226 |
| InChI Key: | PZXKFEFNHXVQQO-UHFFFAOYSA-N |