6-{4-[2-(3-chlorophenoxy)propanoyl]piperazine-1-sulfonyl}-3-methyl-1,3-benzoxazol-2(3H)-one
Chemical Structure Depiction of
6-{4-[2-(3-chlorophenoxy)propanoyl]piperazine-1-sulfonyl}-3-methyl-1,3-benzoxazol-2(3H)-one
6-{4-[2-(3-chlorophenoxy)propanoyl]piperazine-1-sulfonyl}-3-methyl-1,3-benzoxazol-2(3H)-one
Compound characteristics
| Compound ID: | L694-0103 |
| Compound Name: | 6-{4-[2-(3-chlorophenoxy)propanoyl]piperazine-1-sulfonyl}-3-methyl-1,3-benzoxazol-2(3H)-one |
| Molecular Weight: | 479.94 |
| Molecular Formula: | C21 H22 Cl N3 O6 S |
| Smiles: | CC(C(N1CCN(CC1)S(c1ccc2c(c1)OC(N2C)=O)(=O)=O)=O)Oc1cccc(c1)[Cl] |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.6688 |
| logD: | 2.6688 |
| logSw: | -3.483 |
| Hydrogen bond acceptors count: | 11 |
| Polar surface area: | 78.06 |
| InChI Key: | XHBMQMQJVFKSFC-AWEZNQCLSA-N |