6-{4-[3-(2-chlorophenyl)prop-2-enoyl]piperazine-1-sulfonyl}-2H-1,4-benzoxazin-3(4H)-one
Chemical Structure Depiction of
6-{4-[3-(2-chlorophenyl)prop-2-enoyl]piperazine-1-sulfonyl}-2H-1,4-benzoxazin-3(4H)-one
6-{4-[3-(2-chlorophenyl)prop-2-enoyl]piperazine-1-sulfonyl}-2H-1,4-benzoxazin-3(4H)-one
Compound characteristics
| Compound ID: | F537-0043 |
| Compound Name: | 6-{4-[3-(2-chlorophenyl)prop-2-enoyl]piperazine-1-sulfonyl}-2H-1,4-benzoxazin-3(4H)-one |
| Molecular Weight: | 461.92 |
| Molecular Formula: | C21 H20 Cl N3 O5 S |
| Smiles: | C1CN(CCN1C(/C=C/c1ccccc1[Cl])=O)S(c1ccc2c(c1)NC(CO2)=O)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.2349 |
| logD: | 2.2347 |
| logSw: | -3.2025 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 81.148 |
| InChI Key: | DODCCMMJDSLUSG-UHFFFAOYSA-N |