4-[2-(azepan-1-yl)-2-oxoethyl]-6-(3,5-dimethylpiperidine-1-sulfonyl)-2H-1,4-benzoxazin-3(4H)-one
Chemical Structure Depiction of
4-[2-(azepan-1-yl)-2-oxoethyl]-6-(3,5-dimethylpiperidine-1-sulfonyl)-2H-1,4-benzoxazin-3(4H)-one
4-[2-(azepan-1-yl)-2-oxoethyl]-6-(3,5-dimethylpiperidine-1-sulfonyl)-2H-1,4-benzoxazin-3(4H)-one
Compound characteristics
| Compound ID: | C700-1139 |
| Compound Name: | 4-[2-(azepan-1-yl)-2-oxoethyl]-6-(3,5-dimethylpiperidine-1-sulfonyl)-2H-1,4-benzoxazin-3(4H)-one |
| Molecular Weight: | 463.6 |
| Molecular Formula: | C23 H33 N3 O5 S |
| Smiles: | CC1CC(C)CN(C1)S(c1ccc2c(c1)N(CC(N1CCCCCC1)=O)C(CO2)=O)(=O)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 2.9582 |
| logD: | 2.9582 |
| logSw: | -3.5378 |
| Hydrogen bond acceptors count: | 10 |
| Polar surface area: | 72.37 |
| InChI Key: | JRTNWIHJDAVYRW-UHFFFAOYSA-N |