6-(azepane-1-sulfonyl)-4-(2-{4-[(2H-1,3-benzodioxol-5-yl)methyl]piperazin-1-yl}-2-oxoethyl)-2H-1,4-benzoxazin-3(4H)-one
Chemical Structure Depiction of
6-(azepane-1-sulfonyl)-4-(2-{4-[(2H-1,3-benzodioxol-5-yl)methyl]piperazin-1-yl}-2-oxoethyl)-2H-1,4-benzoxazin-3(4H)-one
6-(azepane-1-sulfonyl)-4-(2-{4-[(2H-1,3-benzodioxol-5-yl)methyl]piperazin-1-yl}-2-oxoethyl)-2H-1,4-benzoxazin-3(4H)-one
Compound characteristics
| Compound ID: | C700-1225 |
| Compound Name: | 6-(azepane-1-sulfonyl)-4-(2-{4-[(2H-1,3-benzodioxol-5-yl)methyl]piperazin-1-yl}-2-oxoethyl)-2H-1,4-benzoxazin-3(4H)-one |
| Molecular Weight: | 570.66 |
| Molecular Formula: | C28 H34 N4 O7 S |
| Smiles: | C1CCCN(CC1)S(c1ccc2c(c1)N(CC(N1CCN(CC1)Cc1ccc3c(c1)OCO3)=O)C(CO2)=O)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.1865 |
| logD: | 1.9949 |
| logSw: | -2.7627 |
| Hydrogen bond acceptors count: | 13 |
| Polar surface area: | 93.159 |
| InChI Key: | UNBQRRLDEZJRPK-UHFFFAOYSA-N |