6-{4-[2-(3-chlorophenoxy)propanoyl]piperazine-1-sulfonyl}-2H-1,4-benzoxazin-3(4H)-one
Chemical Structure Depiction of
6-{4-[2-(3-chlorophenoxy)propanoyl]piperazine-1-sulfonyl}-2H-1,4-benzoxazin-3(4H)-one
6-{4-[2-(3-chlorophenoxy)propanoyl]piperazine-1-sulfonyl}-2H-1,4-benzoxazin-3(4H)-one
Compound characteristics
| Compound ID: | F537-0104 |
| Compound Name: | 6-{4-[2-(3-chlorophenoxy)propanoyl]piperazine-1-sulfonyl}-2H-1,4-benzoxazin-3(4H)-one |
| Molecular Weight: | 479.94 |
| Molecular Formula: | C21 H22 Cl N3 O6 S |
| Smiles: | CC(C(N1CCN(CC1)S(c1ccc2c(c1)NC(CO2)=O)(=O)=O)=O)Oc1cccc(c1)[Cl] |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.1781 |
| logD: | 2.1778 |
| logSw: | -3.2127 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 88.465 |
| InChI Key: | FWNSSHLVKQEPOX-AWEZNQCLSA-N |