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-dimethoxy-N-methylbenzene-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-dimethoxy-N-methylbenzene-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-dimethoxy-N-methylbenzene-1-sulfonamide
Compound characteristics
| Compound ID: | S638-5263 |
| 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-dimethoxy-N-methylbenzene-1-sulfonamide |
| Molecular Weight: | 436.53 |
| Molecular Formula: | C20 H28 N4 O5 S |
| Smiles: | CN(C1CCC2=NN(CC3CC3)C(N2CC1)=O)S(c1cc(ccc1OC)OC)(=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.7341 |
| logD: | 2.7305 |
| logSw: | -3.2352 |
| Hydrogen bond acceptors count: | 10 |
| Polar surface area: | 81.675 |
| InChI Key: | AZCOIWGSYUZLNZ-HNNXBMFYSA-N |