6-{4-[(azepan-1-yl)methyl]piperidine-1-sulfonyl}-3-methyl-1,3-benzoxazol-2(3H)-one
Chemical Structure Depiction of
6-{4-[(azepan-1-yl)methyl]piperidine-1-sulfonyl}-3-methyl-1,3-benzoxazol-2(3H)-one
6-{4-[(azepan-1-yl)methyl]piperidine-1-sulfonyl}-3-methyl-1,3-benzoxazol-2(3H)-one
Compound characteristics
| Compound ID: | F126-0317 |
| Compound Name: | 6-{4-[(azepan-1-yl)methyl]piperidine-1-sulfonyl}-3-methyl-1,3-benzoxazol-2(3H)-one |
| Molecular Weight: | 407.53 |
| Molecular Formula: | C20 H29 N3 O4 S |
| Smiles: | CN1C(=O)Oc2cc(ccc12)S(N1CCC(CC1)CN1CCCCCC1)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.9241 |
| logD: | 0.0116 |
| logSw: | -3.5284 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 58.879 |
| InChI Key: | VYEMGGSLUCRJAO-UHFFFAOYSA-N |