N-[2-(cyclopropylmethyl)-3-oxo-2,5,6,7,8,9-hexahydro-3H-[1,2,4]triazolo[4,3-a]azepin-7-yl]-2,5-dimethoxybenzene-1-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]-2,5-dimethoxybenzene-1-sulfonamide
N-[2-(cyclopropylmethyl)-3-oxo-2,5,6,7,8,9-hexahydro-3H-[1,2,4]triazolo[4,3-a]azepin-7-yl]-2,5-dimethoxybenzene-1-sulfonamide
Compound characteristics
| Compound ID: | CM4206-3909 |
| 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]-2,5-dimethoxybenzene-1-sulfonamide |
| Molecular Weight: | 422.5 |
| Molecular Formula: | C19 H26 N4 O5 S |
| Smiles: | COc1ccc(c(c1)S(NC1CCC2=NN(CC3CC3)C(N2CC1)=O)(=O)=O)OC |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.2554 |
| logD: | 2.2517 |
| logSw: | -2.9242 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 90.718 |
| InChI Key: | FYZUIBIHNJNHBE-AWEZNQCLSA-N |