6-chloro-7-{4-[3-(furan-2-yl)prop-2-enoyl]piperazine-1-sulfonyl}-2H-1,4-benzoxazin-3(4H)-one
Chemical Structure Depiction of
6-chloro-7-{4-[3-(furan-2-yl)prop-2-enoyl]piperazine-1-sulfonyl}-2H-1,4-benzoxazin-3(4H)-one
6-chloro-7-{4-[3-(furan-2-yl)prop-2-enoyl]piperazine-1-sulfonyl}-2H-1,4-benzoxazin-3(4H)-one
Compound characteristics
| Compound ID: | F536-0272 |
| Compound Name: | 6-chloro-7-{4-[3-(furan-2-yl)prop-2-enoyl]piperazine-1-sulfonyl}-2H-1,4-benzoxazin-3(4H)-one |
| Molecular Weight: | 451.88 |
| Molecular Formula: | C19 H18 Cl N3 O6 S |
| Smiles: | C1CN(CCN1C(/C=C/c1ccco1)=O)S(c1cc2c(cc1[Cl])NC(CO2)=O)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 1.2939 |
| logD: | 1.2353 |
| logSw: | -2.849 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 88.897 |
| InChI Key: | VHVZKGFYJKNORQ-UHFFFAOYSA-N |