N-[5-(1,4-dioxa-8-azaspiro[4.5]decane-8-carbonyl)-2-(8-oxo-1,5,6,8-tetrahydro-2H-1,5-methanopyrido[1,2-a][1,5]diazocin-3(4H)-yl)phenyl]-2,3-dihydro-1,4-benzodioxine-6-sulfonamide
Chemical Structure Depiction of
N-[5-(1,4-dioxa-8-azaspiro[4.5]decane-8-carbonyl)-2-(8-oxo-1,5,6,8-tetrahydro-2H-1,5-methanopyrido[1,2-a][1,5]diazocin-3(4H)-yl)phenyl]-2,3-dihydro-1,4-benzodioxine-6-sulfonamide
N-[5-(1,4-dioxa-8-azaspiro[4.5]decane-8-carbonyl)-2-(8-oxo-1,5,6,8-tetrahydro-2H-1,5-methanopyrido[1,2-a][1,5]diazocin-3(4H)-yl)phenyl]-2,3-dihydro-1,4-benzodioxine-6-sulfonamide
Compound characteristics
| Compound ID: | K784-5602 |
| Compound Name: | N-[5-(1,4-dioxa-8-azaspiro[4.5]decane-8-carbonyl)-2-(8-oxo-1,5,6,8-tetrahydro-2H-1,5-methanopyrido[1,2-a][1,5]diazocin-3(4H)-yl)phenyl]-2,3-dihydro-1,4-benzodioxine-6-sulfonamide |
| Molecular Weight: | 648.74 |
| Molecular Formula: | C33 H36 N4 O8 S |
| Smiles: | C1C2CN(CC1C1=CC=CC(N1C2)=O)c1ccc(cc1NS(c1ccc2c(c1)OCCO2)(=O)=O)C(N1CCC2(CC1)OCCO2)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 1.9855 |
| logD: | 1.7484 |
| logSw: | -2.8725 |
| Hydrogen bond acceptors count: | 12 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 105.949 |
| InChI Key: | ZYIWIDVNVNOTCA-UHFFFAOYSA-N |