6-(azepane-1-sulfonyl)-3-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]-1,3-benzoxazol-2(3H)-one
Chemical Structure Depiction of
6-(azepane-1-sulfonyl)-3-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]-1,3-benzoxazol-2(3H)-one
6-(azepane-1-sulfonyl)-3-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]-1,3-benzoxazol-2(3H)-one
Compound characteristics
| Compound ID: | C989-0314 |
| Compound Name: | 6-(azepane-1-sulfonyl)-3-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]-1,3-benzoxazol-2(3H)-one |
| Molecular Weight: | 435.54 |
| Molecular Formula: | C21 H29 N3 O5 S |
| Smiles: | CC1CCN(CC1)C(CN1C(=O)Oc2cc(ccc12)S(N1CCCCCC1)(=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.5849 |
| logD: | 2.5849 |
| logSw: | -3.1726 |
| Hydrogen bond acceptors count: | 10 |
| Polar surface area: | 71.501 |
| InChI Key: | UHULBVMAISWMNW-UHFFFAOYSA-N |