3-[(2,5-dimethoxybenzene-1-sulfonyl)amino]-4-(8-oxo-1,5,6,8-tetrahydro-2H-1,5-methanopyrido[1,2-a][1,5]diazocin-3(4H)-yl)benzoic acid
Chemical Structure Depiction of
3-[(2,5-dimethoxybenzene-1-sulfonyl)amino]-4-(8-oxo-1,5,6,8-tetrahydro-2H-1,5-methanopyrido[1,2-a][1,5]diazocin-3(4H)-yl)benzoic acid
3-[(2,5-dimethoxybenzene-1-sulfonyl)amino]-4-(8-oxo-1,5,6,8-tetrahydro-2H-1,5-methanopyrido[1,2-a][1,5]diazocin-3(4H)-yl)benzoic acid
Compound characteristics
| Compound ID: | K784-8029 |
| Compound Name: | 3-[(2,5-dimethoxybenzene-1-sulfonyl)amino]-4-(8-oxo-1,5,6,8-tetrahydro-2H-1,5-methanopyrido[1,2-a][1,5]diazocin-3(4H)-yl)benzoic acid |
| Molecular Weight: | 525.58 |
| Molecular Formula: | C26 H27 N3 O7 S |
| Smiles: | COc1ccc(c(c1)S(Nc1cc(ccc1N1CC2CC(C1)C1=CC=CC(N1C2)=O)C(O)=O)(=O)=O)OC |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 3.7967 |
| logD: | 1.2919 |
| logSw: | -4.131 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 102.623 |
| InChI Key: | AEWMGJJHGVSMBL-UHFFFAOYSA-N |