2-ethyl-6-methyl-7-[3-(pyrrolidine-1-carbonyl)piperidine-1-sulfonyl]-2H-1,4-benzoxazin-3(4H)-one
Chemical Structure Depiction of
2-ethyl-6-methyl-7-[3-(pyrrolidine-1-carbonyl)piperidine-1-sulfonyl]-2H-1,4-benzoxazin-3(4H)-one
2-ethyl-6-methyl-7-[3-(pyrrolidine-1-carbonyl)piperidine-1-sulfonyl]-2H-1,4-benzoxazin-3(4H)-one
Compound characteristics
| Compound ID: | F184-3457 |
| Compound Name: | 2-ethyl-6-methyl-7-[3-(pyrrolidine-1-carbonyl)piperidine-1-sulfonyl]-2H-1,4-benzoxazin-3(4H)-one |
| Molecular Weight: | 435.54 |
| Molecular Formula: | C21 H29 N3 O5 S |
| Smiles: | CCC1C(Nc2cc(C)c(cc2O1)S(N1CCCC(C1)C(N1CCCC1)=O)(=O)=O)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 2.207 |
| logD: | 2.206 |
| logSw: | -2.8674 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 81.7 |
| InChI Key: | ACNUYWGJOUTUSG-UHFFFAOYSA-N |