1-(3-fluorophenyl)-N-(3-oxo-2,5,6,7,8,9-hexahydro-3H-[1,2,4]triazolo[4,3-a]azepin-7-yl)methanesulfonamide
Chemical Structure Depiction of
1-(3-fluorophenyl)-N-(3-oxo-2,5,6,7,8,9-hexahydro-3H-[1,2,4]triazolo[4,3-a]azepin-7-yl)methanesulfonamide
1-(3-fluorophenyl)-N-(3-oxo-2,5,6,7,8,9-hexahydro-3H-[1,2,4]triazolo[4,3-a]azepin-7-yl)methanesulfonamide
Compound characteristics
| Compound ID: | S638-0378 |
| Compound Name: | 1-(3-fluorophenyl)-N-(3-oxo-2,5,6,7,8,9-hexahydro-3H-[1,2,4]triazolo[4,3-a]azepin-7-yl)methanesulfonamide |
| Molecular Weight: | 340.37 |
| Molecular Formula: | C14 H17 F N4 O3 S |
| Smiles: | C1CC2=NNC(N2CCC1NS(Cc1cccc(c1)F)(=O)=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 1.6918 |
| logD: | 1.6853 |
| logSw: | -2.4369 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 85.249 |
| InChI Key: | SBFRPSPPIIFMQY-LBPRGKRZSA-N |