6-{4-[2-(azepan-1-yl)-2-oxoethyl]piperidine-1-sulfonyl}-3-methyl-1,3-benzoxazol-2(3H)-one
Chemical Structure Depiction of
6-{4-[2-(azepan-1-yl)-2-oxoethyl]piperidine-1-sulfonyl}-3-methyl-1,3-benzoxazol-2(3H)-one
6-{4-[2-(azepan-1-yl)-2-oxoethyl]piperidine-1-sulfonyl}-3-methyl-1,3-benzoxazol-2(3H)-one
Compound characteristics
| Compound ID: | L799-0847 |
| Compound Name: | 6-{4-[2-(azepan-1-yl)-2-oxoethyl]piperidine-1-sulfonyl}-3-methyl-1,3-benzoxazol-2(3H)-one |
| Molecular Weight: | 435.54 |
| Molecular Formula: | C21 H29 N3 O5 S |
| Smiles: | CN1C(=O)Oc2cc(ccc12)S(N1CCC(CC1)CC(N1CCCCCC1)=O)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.6317 |
| logD: | 2.6317 |
| logSw: | -3.1974 |
| Hydrogen bond acceptors count: | 10 |
| Polar surface area: | 71.267 |
| InChI Key: | MPYKHLJQPCTXMA-UHFFFAOYSA-N |