N-(2-methyl-3-oxo-2,5,6,7,8,9-hexahydro-3H-[1,2,4]triazolo[4,3-a]azepin-7-yl)-5,6,7,8-tetrahydronaphthalene-2-sulfonamide
Chemical Structure Depiction of
N-(2-methyl-3-oxo-2,5,6,7,8,9-hexahydro-3H-[1,2,4]triazolo[4,3-a]azepin-7-yl)-5,6,7,8-tetrahydronaphthalene-2-sulfonamide
N-(2-methyl-3-oxo-2,5,6,7,8,9-hexahydro-3H-[1,2,4]triazolo[4,3-a]azepin-7-yl)-5,6,7,8-tetrahydronaphthalene-2-sulfonamide
Compound characteristics
| Compound ID: | S638-0742 |
| Compound Name: | N-(2-methyl-3-oxo-2,5,6,7,8,9-hexahydro-3H-[1,2,4]triazolo[4,3-a]azepin-7-yl)-5,6,7,8-tetrahydronaphthalene-2-sulfonamide |
| Molecular Weight: | 376.48 |
| Molecular Formula: | C18 H24 N4 O3 S |
| Smiles: | CN1C(N2CCC(CCC2=N1)NS(c1ccc2CCCCc2c1)(=O)=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.948 |
| logD: | 2.9478 |
| logSw: | -3.5212 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 74.892 |
| InChI Key: | XQMVKJATJUGIQT-HNNXBMFYSA-N |