6-{4-[3-(thiophen-2-yl)prop-2-enoyl]piperazine-1-sulfonyl}-2H-1,4-benzoxazin-3(4H)-one
Chemical Structure Depiction of
6-{4-[3-(thiophen-2-yl)prop-2-enoyl]piperazine-1-sulfonyl}-2H-1,4-benzoxazin-3(4H)-one
6-{4-[3-(thiophen-2-yl)prop-2-enoyl]piperazine-1-sulfonyl}-2H-1,4-benzoxazin-3(4H)-one
Compound characteristics
| Compound ID: | F537-0134 |
| Compound Name: | 6-{4-[3-(thiophen-2-yl)prop-2-enoyl]piperazine-1-sulfonyl}-2H-1,4-benzoxazin-3(4H)-one |
| Molecular Weight: | 433.5 |
| Molecular Formula: | C19 H19 N3 O5 S2 |
| Smiles: | C1CN(CCN1C(/C=C/c1cccs1)=O)S(c1ccc2c(c1)NC(CO2)=O)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 1.168 |
| logD: | 1.1678 |
| logSw: | -2.5303 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 82.167 |
| InChI Key: | XADAKJKCCOXOBW-UHFFFAOYSA-N |