6-[3-(azepan-1-yl)-3-oxopropane-1-sulfonyl]-3-methyl-1,3-benzoxazol-2(3H)-one
Chemical Structure Depiction of
6-[3-(azepan-1-yl)-3-oxopropane-1-sulfonyl]-3-methyl-1,3-benzoxazol-2(3H)-one
6-[3-(azepan-1-yl)-3-oxopropane-1-sulfonyl]-3-methyl-1,3-benzoxazol-2(3H)-one
Compound characteristics
| Compound ID: | E975-1099 |
| Compound Name: | 6-[3-(azepan-1-yl)-3-oxopropane-1-sulfonyl]-3-methyl-1,3-benzoxazol-2(3H)-one |
| Molecular Weight: | 366.43 |
| Molecular Formula: | C17 H22 N2 O5 S |
| Smiles: | CN1C(=O)Oc2cc(ccc12)S(CCC(N1CCCCCC1)=O)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 1.2095 |
| logD: | 1.2095 |
| logSw: | -2.3682 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 68.592 |
| InChI Key: | VCVQCWGFHJGEEB-UHFFFAOYSA-N |