6-(azepane-1-sulfonyl)-4-{2-oxo-2-[4-(pyridin-2-yl)piperazin-1-yl]ethyl}-2H-1,4-benzoxazin-3(4H)-one
Chemical Structure Depiction of
6-(azepane-1-sulfonyl)-4-{2-oxo-2-[4-(pyridin-2-yl)piperazin-1-yl]ethyl}-2H-1,4-benzoxazin-3(4H)-one
6-(azepane-1-sulfonyl)-4-{2-oxo-2-[4-(pyridin-2-yl)piperazin-1-yl]ethyl}-2H-1,4-benzoxazin-3(4H)-one
Compound characteristics
| Compound ID: | C700-0998 |
| Compound Name: | 6-(azepane-1-sulfonyl)-4-{2-oxo-2-[4-(pyridin-2-yl)piperazin-1-yl]ethyl}-2H-1,4-benzoxazin-3(4H)-one |
| Molecular Weight: | 513.62 |
| Molecular Formula: | C25 H31 N5 O5 S |
| Smiles: | C1CCCN(CC1)S(c1ccc2c(c1)N(CC(N1CCN(CC1)c1ccccn1)=O)C(CO2)=O)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.3019 |
| logD: | 2.293 |
| logSw: | -2.7911 |
| Hydrogen bond acceptors count: | 11 |
| Polar surface area: | 84.274 |
| InChI Key: | GECMWBSFQHXQQL-UHFFFAOYSA-N |