6-(azepane-1-sulfonyl)-4-[2-(4-benzylpiperazin-1-yl)-2-oxoethyl]-2H-1,4-benzoxazin-3(4H)-one
Chemical Structure Depiction of
6-(azepane-1-sulfonyl)-4-[2-(4-benzylpiperazin-1-yl)-2-oxoethyl]-2H-1,4-benzoxazin-3(4H)-one
6-(azepane-1-sulfonyl)-4-[2-(4-benzylpiperazin-1-yl)-2-oxoethyl]-2H-1,4-benzoxazin-3(4H)-one
Compound characteristics
| Compound ID: | C700-0999 |
| Compound Name: | 6-(azepane-1-sulfonyl)-4-[2-(4-benzylpiperazin-1-yl)-2-oxoethyl]-2H-1,4-benzoxazin-3(4H)-one |
| Molecular Weight: | 526.65 |
| Molecular Formula: | C27 H34 N4 O5 S |
| Smiles: | C1CCCN(CC1)S(c1ccc2c(c1)N(CC(N1CCN(CC1)Cc1ccccc1)=O)C(CO2)=O)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.3153 |
| logD: | 2.2999 |
| logSw: | -2.8826 |
| Hydrogen bond acceptors count: | 11 |
| Polar surface area: | 76.043 |
| InChI Key: | MAJDFFQJNZNUMN-UHFFFAOYSA-N |