6-{4-[3-(4-methylphenyl)prop-2-enoyl]piperazine-1-sulfonyl}-2H-1,4-benzoxazin-3(4H)-one
Chemical Structure Depiction of
6-{4-[3-(4-methylphenyl)prop-2-enoyl]piperazine-1-sulfonyl}-2H-1,4-benzoxazin-3(4H)-one
6-{4-[3-(4-methylphenyl)prop-2-enoyl]piperazine-1-sulfonyl}-2H-1,4-benzoxazin-3(4H)-one
Compound characteristics
| Compound ID: | F537-0064 |
| Compound Name: | 6-{4-[3-(4-methylphenyl)prop-2-enoyl]piperazine-1-sulfonyl}-2H-1,4-benzoxazin-3(4H)-one |
| Molecular Weight: | 441.5 |
| Molecular Formula: | C22 H23 N3 O5 S |
| Smiles: | Cc1ccc(/C=C/C(N2CCN(CC2)S(c2ccc3c(c2)NC(CO3)=O)(=O)=O)=O)cc1 |
| Stereo: | ACHIRAL |
| logP: | 2.1277 |
| logD: | 2.1275 |
| logSw: | -3.1263 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 81.148 |
| InChI Key: | YNVRFTBKGSKNFZ-UHFFFAOYSA-N |