7-[3-(azepane-1-carbonyl)piperidine-1-sulfonyl]-2,6-dimethyl-2H-1,4-benzoxazin-3(4H)-one
Chemical Structure Depiction of
7-[3-(azepane-1-carbonyl)piperidine-1-sulfonyl]-2,6-dimethyl-2H-1,4-benzoxazin-3(4H)-one
7-[3-(azepane-1-carbonyl)piperidine-1-sulfonyl]-2,6-dimethyl-2H-1,4-benzoxazin-3(4H)-one
Compound characteristics
| Compound ID: | F184-1617 |
| Compound Name: | 7-[3-(azepane-1-carbonyl)piperidine-1-sulfonyl]-2,6-dimethyl-2H-1,4-benzoxazin-3(4H)-one |
| Molecular Weight: | 449.57 |
| Molecular Formula: | C22 H31 N3 O5 S |
| Smiles: | CC1C(Nc2cc(C)c(cc2O1)S(N1CCCC(C1)C(N1CCCCCC1)=O)(=O)=O)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 2.321 |
| logD: | 2.3203 |
| logSw: | -2.8966 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 81.471 |
| InChI Key: | MMUQZZLQQOIEGJ-UHFFFAOYSA-N |