3-cyano-N-[2-(cyclopropylmethyl)-3-oxo-2,5,6,7,8,9-hexahydro-3H-[1,2,4]triazolo[4,3-a]azepin-7-yl]benzene-1-sulfonamide
Chemical Structure Depiction of
3-cyano-N-[2-(cyclopropylmethyl)-3-oxo-2,5,6,7,8,9-hexahydro-3H-[1,2,4]triazolo[4,3-a]azepin-7-yl]benzene-1-sulfonamide
3-cyano-N-[2-(cyclopropylmethyl)-3-oxo-2,5,6,7,8,9-hexahydro-3H-[1,2,4]triazolo[4,3-a]azepin-7-yl]benzene-1-sulfonamide
Compound characteristics
| Compound ID: | S638-1055 |
| Compound Name: | 3-cyano-N-[2-(cyclopropylmethyl)-3-oxo-2,5,6,7,8,9-hexahydro-3H-[1,2,4]triazolo[4,3-a]azepin-7-yl]benzene-1-sulfonamide |
| Molecular Weight: | 387.46 |
| Molecular Formula: | C18 H21 N5 O3 S |
| Smiles: | C1CC2=NN(CC3CC3)C(N2CCC1NS(c1cccc(C#N)c1)(=O)=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.1864 |
| logD: | 2.1827 |
| logSw: | -2.7385 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 92.6 |
| InChI Key: | HAOPYBYQWURLJZ-HNNXBMFYSA-N |