N-methyl-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-methyl-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-methyl-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: | S638-2476 |
| Compound Name: | N-methyl-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: | 390.5 |
| Molecular Formula: | C19 H26 N4 O3 S |
| Smiles: | CN1C(N2CCC(CCC2=N1)N(C)S(c1ccc2CCCCc2c1)(=O)=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.1789 |
| logD: | 3.1788 |
| logSw: | -3.3858 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 65.849 |
| InChI Key: | AFBUIZXTQINIIH-INIZCTEOSA-N |