N-(3-oxo-2,5,6,7,8,9-hexahydro-3H-[1,2,4]triazolo[4,3-a]azepin-7-yl)quinoline-8-sulfonamide
Chemical Structure Depiction of
N-(3-oxo-2,5,6,7,8,9-hexahydro-3H-[1,2,4]triazolo[4,3-a]azepin-7-yl)quinoline-8-sulfonamide
N-(3-oxo-2,5,6,7,8,9-hexahydro-3H-[1,2,4]triazolo[4,3-a]azepin-7-yl)quinoline-8-sulfonamide
Compound characteristics
| Compound ID: | S638-0351 |
| Compound Name: | N-(3-oxo-2,5,6,7,8,9-hexahydro-3H-[1,2,4]triazolo[4,3-a]azepin-7-yl)quinoline-8-sulfonamide |
| Molecular Weight: | 359.4 |
| Molecular Formula: | C16 H17 N5 O3 S |
| Smiles: | C1CC2=NNC(N2CCC1NS(c1cccc2cccnc12)(=O)=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 1.1103 |
| logD: | 1.1038 |
| logSw: | -2.3773 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 93.155 |
| InChI Key: | XDVUNLNIMICASC-LBPRGKRZSA-N |