N-(2-methyl-3-oxo-2,5,6,7,8,9-hexahydro-3H-[1,2,4]triazolo[4,3-a]azepin-7-yl)-2,3-dihydro-1,4-benzodioxine-6-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)-2,3-dihydro-1,4-benzodioxine-6-sulfonamide
N-(2-methyl-3-oxo-2,5,6,7,8,9-hexahydro-3H-[1,2,4]triazolo[4,3-a]azepin-7-yl)-2,3-dihydro-1,4-benzodioxine-6-sulfonamide
Compound characteristics
| Compound ID: | S638-0766 |
| 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)-2,3-dihydro-1,4-benzodioxine-6-sulfonamide |
| Molecular Weight: | 380.42 |
| Molecular Formula: | C16 H20 N4 O5 S |
| Smiles: | CN1C(N2CCC(CCC2=N1)NS(c1ccc2c(c1)OCCO2)(=O)=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 0.6507 |
| logD: | 0.6506 |
| logSw: | -2.3956 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 90.795 |
| InChI Key: | UJQZGCLGVZGNIJ-NSHDSACASA-N |