7-[3-(3,4-dihydroisoquinoline-2(1H)-carbonyl)piperidine-1-sulfonyl]-2-ethyl-6-methyl-2H-1,4-benzoxazin-3(4H)-one
Chemical Structure Depiction of
7-[3-(3,4-dihydroisoquinoline-2(1H)-carbonyl)piperidine-1-sulfonyl]-2-ethyl-6-methyl-2H-1,4-benzoxazin-3(4H)-one
7-[3-(3,4-dihydroisoquinoline-2(1H)-carbonyl)piperidine-1-sulfonyl]-2-ethyl-6-methyl-2H-1,4-benzoxazin-3(4H)-one
Compound characteristics
| Compound ID: | F184-3467 |
| Compound Name: | 7-[3-(3,4-dihydroisoquinoline-2(1H)-carbonyl)piperidine-1-sulfonyl]-2-ethyl-6-methyl-2H-1,4-benzoxazin-3(4H)-one |
| Molecular Weight: | 497.61 |
| Molecular Formula: | C26 H31 N3 O5 S |
| Smiles: | CCC1C(Nc2cc(C)c(cc2O1)S(N1CCCC(C1)C(N1CCc2ccccc2C1)=O)(=O)=O)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 3.3036 |
| logD: | 3.3026 |
| logSw: | -3.4541 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 80.996 |
| InChI Key: | UTRLJJVRSFPKHQ-UHFFFAOYSA-N |