N-butyl-3-[(2,3-dihydro-1,4-benzodioxine-6-sulfonyl)amino]-4-(8-oxo-1,5,6,8-tetrahydro-2H-1,5-methanopyrido[1,2-a][1,5]diazocin-3(4H)-yl)benzamide
Chemical Structure Depiction of
N-butyl-3-[(2,3-dihydro-1,4-benzodioxine-6-sulfonyl)amino]-4-(8-oxo-1,5,6,8-tetrahydro-2H-1,5-methanopyrido[1,2-a][1,5]diazocin-3(4H)-yl)benzamide
N-butyl-3-[(2,3-dihydro-1,4-benzodioxine-6-sulfonyl)amino]-4-(8-oxo-1,5,6,8-tetrahydro-2H-1,5-methanopyrido[1,2-a][1,5]diazocin-3(4H)-yl)benzamide
Compound characteristics
| Compound ID: | K784-6249 |
| Compound Name: | N-butyl-3-[(2,3-dihydro-1,4-benzodioxine-6-sulfonyl)amino]-4-(8-oxo-1,5,6,8-tetrahydro-2H-1,5-methanopyrido[1,2-a][1,5]diazocin-3(4H)-yl)benzamide |
| Molecular Weight: | 578.69 |
| Molecular Formula: | C30 H34 N4 O6 S |
| Smiles: | CCCCNC(c1ccc(c(c1)NS(c1ccc2c(c1)OCCO2)(=O)=O)N1CC2CC(C1)C1=CC=CC(N1C2)=O)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 3.4044 |
| logD: | 2.7223 |
| logSw: | -3.8695 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 99.39 |
| InChI Key: | GEMOMWKOKWTBRD-UHFFFAOYSA-N |