N-[2-(cyclopropylmethyl)-3-oxo-2,5,6,7,8,9-hexahydro-3H-[1,2,4]triazolo[4,3-a]azepin-7-yl]-N-methyl-2,3-dihydro-1,4-benzodioxine-6-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]-N-methyl-2,3-dihydro-1,4-benzodioxine-6-sulfonamide
N-[2-(cyclopropylmethyl)-3-oxo-2,5,6,7,8,9-hexahydro-3H-[1,2,4]triazolo[4,3-a]azepin-7-yl]-N-methyl-2,3-dihydro-1,4-benzodioxine-6-sulfonamide
Compound characteristics
| Compound ID: | S638-5270 |
| 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]-N-methyl-2,3-dihydro-1,4-benzodioxine-6-sulfonamide |
| Molecular Weight: | 434.51 |
| Molecular Formula: | C20 H26 N4 O5 S |
| Smiles: | CN(C1CCC2=NN(CC3CC3)C(N2CC1)=O)S(c1ccc2c(c1)OCCO2)(=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 1.8204 |
| logD: | 1.8167 |
| logSw: | -2.6096 |
| Hydrogen bond acceptors count: | 10 |
| Polar surface area: | 82.324 |
| InChI Key: | JMFUHCVXOKVNKI-HNNXBMFYSA-N |