N-[2-(cyclopropylmethyl)-3-oxo-2,5,6,7,8,9-hexahydro-3H-[1,2,4]triazolo[4,3-a]azepin-7-yl]-2,4-difluoro-N-methylbenzene-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]-2,4-difluoro-N-methylbenzene-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]-2,4-difluoro-N-methylbenzene-1-sulfonamide
Compound characteristics
| Compound ID: | CM4206-4727 |
| 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]-2,4-difluoro-N-methylbenzene-1-sulfonamide |
| Molecular Weight: | 412.46 |
| Molecular Formula: | C18 H22 F2 N4 O3 S |
| Smiles: | CN(C1CCC2=NN(CC3CC3)C(N2CC1)=O)S(c1ccc(cc1F)F)(=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.9545 |
| logD: | 2.9508 |
| logSw: | -3.3683 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 66.501 |
| InChI Key: | FSNHNUOSDMRFTQ-AWEZNQCLSA-N |