7-{4-[2-(3-chlorophenoxy)propanoyl]piperazine-1-sulfonyl}-6-methyl-2H-1,4-benzoxazin-3(4H)-one
Chemical Structure Depiction of
7-{4-[2-(3-chlorophenoxy)propanoyl]piperazine-1-sulfonyl}-6-methyl-2H-1,4-benzoxazin-3(4H)-one
7-{4-[2-(3-chlorophenoxy)propanoyl]piperazine-1-sulfonyl}-6-methyl-2H-1,4-benzoxazin-3(4H)-one
Compound characteristics
| Compound ID: | F536-0104 |
| Compound Name: | 7-{4-[2-(3-chlorophenoxy)propanoyl]piperazine-1-sulfonyl}-6-methyl-2H-1,4-benzoxazin-3(4H)-one |
| Molecular Weight: | 493.97 |
| Molecular Formula: | C22 H24 Cl N3 O6 S |
| Smiles: | CC(C(N1CCN(CC1)S(c1cc2c(cc1C)NC(CO2)=O)(=O)=O)=O)Oc1cccc(c1)[Cl] |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.3634 |
| logD: | 2.3629 |
| logSw: | -3.3425 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 88.465 |
| InChI Key: | HJLPVHNDGSUSCM-HNNXBMFYSA-N |