6-chloro-7-{4-[3-(2-methoxyphenyl)prop-2-enoyl]piperazine-1-sulfonyl}-2H-1,4-benzoxazin-3(4H)-one
Chemical Structure Depiction of
6-chloro-7-{4-[3-(2-methoxyphenyl)prop-2-enoyl]piperazine-1-sulfonyl}-2H-1,4-benzoxazin-3(4H)-one
6-chloro-7-{4-[3-(2-methoxyphenyl)prop-2-enoyl]piperazine-1-sulfonyl}-2H-1,4-benzoxazin-3(4H)-one
Compound characteristics
| Compound ID: | F536-0285 |
| Compound Name: | 6-chloro-7-{4-[3-(2-methoxyphenyl)prop-2-enoyl]piperazine-1-sulfonyl}-2H-1,4-benzoxazin-3(4H)-one |
| Molecular Weight: | 491.95 |
| Molecular Formula: | C22 H22 Cl N3 O6 S |
| Smiles: | COc1ccccc1/C=C/C(N1CCN(CC1)S(c1cc2c(cc1[Cl])NC(CO2)=O)(=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.2647 |
| logD: | 2.2061 |
| logSw: | -3.2546 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 88.779 |
| InChI Key: | RHXRZFCKCTUMNL-UHFFFAOYSA-N |