1-methyl-N-(3-oxo-2,5,6,7,8,9-hexahydro-3H-[1,2,4]triazolo[4,3-a]azepin-7-yl)-1H-imidazole-2-carboxamide
Chemical Structure Depiction of
1-methyl-N-(3-oxo-2,5,6,7,8,9-hexahydro-3H-[1,2,4]triazolo[4,3-a]azepin-7-yl)-1H-imidazole-2-carboxamide
1-methyl-N-(3-oxo-2,5,6,7,8,9-hexahydro-3H-[1,2,4]triazolo[4,3-a]azepin-7-yl)-1H-imidazole-2-carboxamide
Compound characteristics
| Compound ID: | S638-0228 |
| Compound Name: | 1-methyl-N-(3-oxo-2,5,6,7,8,9-hexahydro-3H-[1,2,4]triazolo[4,3-a]azepin-7-yl)-1H-imidazole-2-carboxamide |
| Molecular Weight: | 276.3 |
| Molecular Formula: | C12 H16 N6 O2 |
| Smiles: | Cn1ccnc1C(NC1CCC2=NNC(N2CC1)=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | -0.2947 |
| logD: | -0.3012 |
| logSw: | -1.3192 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 78.401 |
| InChI Key: | UBZSSLPQNOLUKF-MRVPVSSYSA-N |