6-{4-[(1H-indol-3-yl)acetyl]piperazine-1-sulfonyl}-2H-1,4-benzoxazin-3(4H)-one
Chemical Structure Depiction of
6-{4-[(1H-indol-3-yl)acetyl]piperazine-1-sulfonyl}-2H-1,4-benzoxazin-3(4H)-one
6-{4-[(1H-indol-3-yl)acetyl]piperazine-1-sulfonyl}-2H-1,4-benzoxazin-3(4H)-one
Compound characteristics
| Compound ID: | F537-0059 |
| Compound Name: | 6-{4-[(1H-indol-3-yl)acetyl]piperazine-1-sulfonyl}-2H-1,4-benzoxazin-3(4H)-one |
| Molecular Weight: | 454.5 |
| Molecular Formula: | C22 H22 N4 O5 S |
| Smiles: | C(C(N1CCN(CC1)S(c1ccc2c(c1)NC(CO2)=O)(=O)=O)=O)c1c[nH]c2ccccc12 |
| Stereo: | ACHIRAL |
| logP: | 1.4449 |
| logD: | 1.4447 |
| logSw: | -2.6156 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 91.019 |
| InChI Key: | KTGBFPLCIJHLPG-UHFFFAOYSA-N |