4-[2-(3,5-dimethylpiperidin-1-yl)-2-oxoethyl]-6-(pyrrolidine-1-sulfonyl)-2H-1,4-benzoxazin-3(4H)-one
Chemical Structure Depiction of
4-[2-(3,5-dimethylpiperidin-1-yl)-2-oxoethyl]-6-(pyrrolidine-1-sulfonyl)-2H-1,4-benzoxazin-3(4H)-one
4-[2-(3,5-dimethylpiperidin-1-yl)-2-oxoethyl]-6-(pyrrolidine-1-sulfonyl)-2H-1,4-benzoxazin-3(4H)-one
Compound characteristics
| Compound ID: | C534-0600 |
| Compound Name: | 4-[2-(3,5-dimethylpiperidin-1-yl)-2-oxoethyl]-6-(pyrrolidine-1-sulfonyl)-2H-1,4-benzoxazin-3(4H)-one |
| Molecular Weight: | 435.54 |
| Molecular Formula: | C21 H29 N3 O5 S |
| Smiles: | CC1CC(C)CN(C1)C(CN1C(COc2ccc(cc12)S(N1CCCC1)(=O)=O)=O)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 2.0878 |
| logD: | 2.0878 |
| logSw: | -2.8899 |
| Hydrogen bond acceptors count: | 10 |
| Polar surface area: | 72.405 |
| InChI Key: | DJVHAHPYCFEHGP-UHFFFAOYSA-N |