6-chloro-7-(4-phenylpiperazine-1-sulfonyl)-2H-1,4-benzoxazin-3(4H)-one
Chemical Structure Depiction of
6-chloro-7-(4-phenylpiperazine-1-sulfonyl)-2H-1,4-benzoxazin-3(4H)-one
6-chloro-7-(4-phenylpiperazine-1-sulfonyl)-2H-1,4-benzoxazin-3(4H)-one
Compound characteristics
| Compound ID: | E245-0610 |
| Compound Name: | 6-chloro-7-(4-phenylpiperazine-1-sulfonyl)-2H-1,4-benzoxazin-3(4H)-one |
| Molecular Weight: | 407.87 |
| Molecular Formula: | C18 H18 Cl N3 O4 S |
| Smiles: | C1CN(CCN1c1ccccc1)S(c1cc2c(cc1[Cl])NC(CO2)=O)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.2966 |
| logD: | 2.238 |
| logSw: | -3.2885 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 68.48 |
| InChI Key: | MWYAKDDNPSPZEV-UHFFFAOYSA-N |