6-chloro-7-{4-[(thiophen-2-yl)acetyl]piperazine-1-sulfonyl}-2H-1,4-benzoxazin-3(4H)-one
Chemical Structure Depiction of
6-chloro-7-{4-[(thiophen-2-yl)acetyl]piperazine-1-sulfonyl}-2H-1,4-benzoxazin-3(4H)-one
6-chloro-7-{4-[(thiophen-2-yl)acetyl]piperazine-1-sulfonyl}-2H-1,4-benzoxazin-3(4H)-one
Compound characteristics
| Compound ID: | F536-0244 |
| Compound Name: | 6-chloro-7-{4-[(thiophen-2-yl)acetyl]piperazine-1-sulfonyl}-2H-1,4-benzoxazin-3(4H)-one |
| Molecular Weight: | 455.94 |
| Molecular Formula: | C18 H18 Cl N3 O5 S2 |
| Smiles: | C(C(N1CCN(CC1)S(c1cc2c(cc1[Cl])NC(CO2)=O)(=O)=O)=O)c1cccs1 |
| Stereo: | ACHIRAL |
| logP: | 1.2831 |
| logD: | 1.2245 |
| logSw: | -2.8559 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 82.167 |
| InChI Key: | ZMGSCYHALZWQNI-UHFFFAOYSA-N |