7-(azepane-1-sulfonyl)-6-chloro-2H-1,4-benzoxazin-3(4H)-one
Chemical Structure Depiction of
7-(azepane-1-sulfonyl)-6-chloro-2H-1,4-benzoxazin-3(4H)-one
7-(azepane-1-sulfonyl)-6-chloro-2H-1,4-benzoxazin-3(4H)-one
Compound characteristics
| Compound ID: | G805-0629 |
| Compound Name: | 7-(azepane-1-sulfonyl)-6-chloro-2H-1,4-benzoxazin-3(4H)-one |
| Molecular Weight: | 344.81 |
| Molecular Formula: | C14 H17 Cl N2 O4 S |
| Smiles: | C1CCCN(CC1)S(c1cc2c(cc1[Cl])NC(CO2)=O)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.071 |
| logD: | 2.0124 |
| logSw: | -3.0149 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 65.551 |
| InChI Key: | VRRJCVVDLMOWKB-UHFFFAOYSA-N |