6-chloro-7-{4-[(4-methoxyphenoxy)acetyl]piperazine-1-sulfonyl}-2H-1,4-benzoxazin-3(4H)-one
Chemical Structure Depiction of
6-chloro-7-{4-[(4-methoxyphenoxy)acetyl]piperazine-1-sulfonyl}-2H-1,4-benzoxazin-3(4H)-one
6-chloro-7-{4-[(4-methoxyphenoxy)acetyl]piperazine-1-sulfonyl}-2H-1,4-benzoxazin-3(4H)-one
Compound characteristics
| Compound ID: | F536-0283 |
| Compound Name: | 6-chloro-7-{4-[(4-methoxyphenoxy)acetyl]piperazine-1-sulfonyl}-2H-1,4-benzoxazin-3(4H)-one |
| Molecular Weight: | 495.94 |
| Molecular Formula: | C21 H22 Cl N3 O7 S |
| Smiles: | COc1ccc(cc1)OCC(N1CCN(CC1)S(c1cc2c(cc1[Cl])NC(CO2)=O)(=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 1.2161 |
| logD: | 1.1575 |
| logSw: | -2.873 |
| Hydrogen bond acceptors count: | 12 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 96.191 |
| InChI Key: | ACNBHHWBXSNKGC-UHFFFAOYSA-N |