6-(azepane-1-sulfonyl)-4-{2-[4-(4-nitrophenyl)piperazin-1-yl]-2-oxoethyl}-2H-1,4-benzoxazin-3(4H)-one
Chemical Structure Depiction of
6-(azepane-1-sulfonyl)-4-{2-[4-(4-nitrophenyl)piperazin-1-yl]-2-oxoethyl}-2H-1,4-benzoxazin-3(4H)-one
6-(azepane-1-sulfonyl)-4-{2-[4-(4-nitrophenyl)piperazin-1-yl]-2-oxoethyl}-2H-1,4-benzoxazin-3(4H)-one
Compound characteristics
| Compound ID: | C700-1223 |
| Compound Name: | 6-(azepane-1-sulfonyl)-4-{2-[4-(4-nitrophenyl)piperazin-1-yl]-2-oxoethyl}-2H-1,4-benzoxazin-3(4H)-one |
| Molecular Weight: | 557.63 |
| Molecular Formula: | C26 H31 N5 O7 S |
| Smiles: | C1CCCN(CC1)S(c1ccc2c(c1)N(CC(N1CCN(CC1)c1ccc(cc1)[N+]([O-])=O)=O)C(CO2)=O)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.6815 |
| logD: | 2.6815 |
| logSw: | -3.2336 |
| Hydrogen bond acceptors count: | 14 |
| Polar surface area: | 109.145 |
| InChI Key: | XYGXQFPDVOQFSC-UHFFFAOYSA-N |