3-[2-(azepan-1-yl)-2-oxoethyl]-6-(4-methylpiperidine-1-sulfonyl)-1,3-benzoxazol-2(3H)-one
Chemical Structure Depiction of
3-[2-(azepan-1-yl)-2-oxoethyl]-6-(4-methylpiperidine-1-sulfonyl)-1,3-benzoxazol-2(3H)-one
3-[2-(azepan-1-yl)-2-oxoethyl]-6-(4-methylpiperidine-1-sulfonyl)-1,3-benzoxazol-2(3H)-one
Compound characteristics
| Compound ID: | C626-3430 |
| Compound Name: | 3-[2-(azepan-1-yl)-2-oxoethyl]-6-(4-methylpiperidine-1-sulfonyl)-1,3-benzoxazol-2(3H)-one |
| Molecular Weight: | 435.54 |
| Molecular Formula: | C21 H29 N3 O5 S |
| Smiles: | CC1CCN(CC1)S(c1ccc2c(c1)OC(N2CC(N1CCCCCC1)=O)=O)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.7286 |
| logD: | 2.7286 |
| logSw: | -3.4894 |
| Hydrogen bond acceptors count: | 10 |
| Polar surface area: | 71.501 |
| InChI Key: | JUBMNXPFJMNVFX-UHFFFAOYSA-N |