4-[2-(azepan-1-yl)-2-oxoethyl]-6-(4-methylpiperidine-1-sulfonyl)-2H-1,4-benzoxazin-3(4H)-one
Chemical Structure Depiction of
4-[2-(azepan-1-yl)-2-oxoethyl]-6-(4-methylpiperidine-1-sulfonyl)-2H-1,4-benzoxazin-3(4H)-one
4-[2-(azepan-1-yl)-2-oxoethyl]-6-(4-methylpiperidine-1-sulfonyl)-2H-1,4-benzoxazin-3(4H)-one
Compound characteristics
| Compound ID: | C700-0167 |
| Compound Name: | 4-[2-(azepan-1-yl)-2-oxoethyl]-6-(4-methylpiperidine-1-sulfonyl)-2H-1,4-benzoxazin-3(4H)-one |
| Molecular Weight: | 449.57 |
| Molecular Formula: | C22 H31 N3 O5 S |
| Smiles: | CC1CCN(CC1)S(c1ccc2c(c1)N(CC(N1CCCCCC1)=O)C(CO2)=O)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.473 |
| logD: | 2.473 |
| logSw: | -2.8456 |
| Hydrogen bond acceptors count: | 10 |
| Polar surface area: | 72.503 |
| InChI Key: | WXYURAQDRXASEG-UHFFFAOYSA-N |