3-[2-(azepan-1-yl)-2-oxoethyl]-6-(3,5-dimethylpiperidine-1-sulfonyl)-1,3-benzoxazol-2(3H)-one
Chemical Structure Depiction of
3-[2-(azepan-1-yl)-2-oxoethyl]-6-(3,5-dimethylpiperidine-1-sulfonyl)-1,3-benzoxazol-2(3H)-one
3-[2-(azepan-1-yl)-2-oxoethyl]-6-(3,5-dimethylpiperidine-1-sulfonyl)-1,3-benzoxazol-2(3H)-one
Compound characteristics
| Compound ID: | C732-0860 |
| Compound Name: | 3-[2-(azepan-1-yl)-2-oxoethyl]-6-(3,5-dimethylpiperidine-1-sulfonyl)-1,3-benzoxazol-2(3H)-one |
| Molecular Weight: | 449.57 |
| Molecular Formula: | C22 H31 N3 O5 S |
| Smiles: | CC1CC(C)CN(C1)S(c1ccc2c(c1)OC(N2CC(N1CCCCCC1)=O)=O)(=O)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 3.2138 |
| logD: | 3.2138 |
| logSw: | -3.8223 |
| Hydrogen bond acceptors count: | 10 |
| Polar surface area: | 71.368 |
| InChI Key: | IGNRJLOUTFIRBH-UHFFFAOYSA-N |