N-[2-(cyclopropylmethyl)-3-oxo-2,5,6,7,8,9-hexahydro-3H-[1,2,4]triazolo[4,3-a]azepin-7-yl]-1-methyl-1H-imidazole-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-methyl-1H-imidazole-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-methyl-1H-imidazole-4-sulfonamide
Compound characteristics
| Compound ID: | S638-1031 |
| 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-methyl-1H-imidazole-4-sulfonamide |
| Molecular Weight: | 366.44 |
| Molecular Formula: | C15 H22 N6 O3 S |
| Smiles: | Cn1cc(nc1)S(NC1CCC2=NN(CC3CC3)C(N2CC1)=O)(=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 0.635 |
| logD: | 0.6311 |
| logSw: | -2.1473 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 87.955 |
| InChI Key: | RRORUXLBVKOLKX-LBPRGKRZSA-N |