ethyl 4-{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)benzoyl}piperazine-1-carboxylate
Chemical Structure Depiction of
ethyl 4-{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)benzoyl}piperazine-1-carboxylate
ethyl 4-{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)benzoyl}piperazine-1-carboxylate
Compound characteristics
| Compound ID: | K784-5506 |
| Compound Name: | ethyl 4-{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)benzoyl}piperazine-1-carboxylate |
| Molecular Weight: | 663.75 |
| Molecular Formula: | C33 H37 N5 O8 S |
| Smiles: | CCOC(N1CCN(CC1)C(c1ccc(c(c1)NS(c1ccc2c(c1)OCCO2)(=O)=O)N1CC2CC(C1)C1=CC=CC(N1C2)=O)=O)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 2.4607 |
| logD: | 2.2237 |
| logSw: | -3.0054 |
| Hydrogen bond acceptors count: | 13 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 114.292 |
| InChI Key: | ARSKEZVZLGIVOX-UHFFFAOYSA-N |