N-[2-(cyclopropylmethyl)-3-oxo-2,5,6,7,8,9-hexahydro-3H-[1,2,4]triazolo[4,3-a]azepin-7-yl]-1-ethyl-N-methyl-1H-pyrazole-4-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]-1-ethyl-N-methyl-1H-pyrazole-4-sulfonamide
N-[2-(cyclopropylmethyl)-3-oxo-2,5,6,7,8,9-hexahydro-3H-[1,2,4]triazolo[4,3-a]azepin-7-yl]-1-ethyl-N-methyl-1H-pyrazole-4-sulfonamide
Compound characteristics
| Compound ID: | CM4206-4201 |
| 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]-1-ethyl-N-methyl-1H-pyrazole-4-sulfonamide |
| Molecular Weight: | 394.49 |
| Molecular Formula: | C17 H26 N6 O3 S |
| Smiles: | CCn1cc(cn1)S(N(C)C1CCC2=NN(CC3CC3)C(N2CC1)=O)(=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 1.2322 |
| logD: | 1.2286 |
| logSw: | -1.6839 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 81.003 |
| InChI Key: | YAMWXOUQQBPUIN-AWEZNQCLSA-N |