N-[2-(cyclopropylmethyl)-3-oxo-2,5,6,7,8,9-hexahydro-3H-[1,2,4]triazolo[4,3-a]azepin-7-yl]-N-methyl-2-(trifluoromethyl)benzene-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]-N-methyl-2-(trifluoromethyl)benzene-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]-N-methyl-2-(trifluoromethyl)benzene-1-sulfonamide
Compound characteristics
| Compound ID: | CM4206-4768 |
| 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]-N-methyl-2-(trifluoromethyl)benzene-1-sulfonamide |
| Molecular Weight: | 444.47 |
| Molecular Formula: | C19 H23 F3 N4 O3 S |
| Smiles: | CN(C1CCC2=NN(CC3CC3)C(N2CC1)=O)S(c1ccccc1C(F)(F)F)(=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.7005 |
| logD: | 3.6969 |
| logSw: | -3.9653 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 66.501 |
| InChI Key: | PDSSLRIQCPFXKL-AWEZNQCLSA-N |