N-[2-(cyclopropylmethyl)-3-oxo-2,5,6,7,8,9-hexahydro-3H-[1,2,4]triazolo[4,3-a]azepin-7-yl]-3-fluorobenzene-1-sulfonamide
Chemical Structure Depiction of
N-[2-(cyclopropylmethyl)-3-oxo-2,5,6,7,8,9-hexahydro-3H-[1,2,4]triazolo[4,3-a]azepin-7-yl]-3-fluorobenzene-1-sulfonamide
N-[2-(cyclopropylmethyl)-3-oxo-2,5,6,7,8,9-hexahydro-3H-[1,2,4]triazolo[4,3-a]azepin-7-yl]-3-fluorobenzene-1-sulfonamide
Compound characteristics
| Compound ID: | S638-1030 |
| Compound Name: | N-[2-(cyclopropylmethyl)-3-oxo-2,5,6,7,8,9-hexahydro-3H-[1,2,4]triazolo[4,3-a]azepin-7-yl]-3-fluorobenzene-1-sulfonamide |
| Molecular Weight: | 380.44 |
| Molecular Formula: | C17 H21 F N4 O3 S |
| Smiles: | C1CC2=NN(CC3CC3)C(N2CCC1NS(c1cccc(c1)F)(=O)=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.635 |
| logD: | 2.6312 |
| logSw: | -3.0213 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 75.544 |
| InChI Key: | RWVJUAKNUUJYIU-AWEZNQCLSA-N |