N-(3-oxo-2,5,6,7,8,9-hexahydro-3H-[1,2,4]triazolo[4,3-a]azepin-7-yl)-1H-benzimidazole-5-carboxamide
Chemical Structure Depiction of
N-(3-oxo-2,5,6,7,8,9-hexahydro-3H-[1,2,4]triazolo[4,3-a]azepin-7-yl)-1H-benzimidazole-5-carboxamide
N-(3-oxo-2,5,6,7,8,9-hexahydro-3H-[1,2,4]triazolo[4,3-a]azepin-7-yl)-1H-benzimidazole-5-carboxamide
Compound characteristics
| Compound ID: | S638-0134 |
| Compound Name: | N-(3-oxo-2,5,6,7,8,9-hexahydro-3H-[1,2,4]triazolo[4,3-a]azepin-7-yl)-1H-benzimidazole-5-carboxamide |
| Molecular Weight: | 312.33 |
| Molecular Formula: | C15 H16 N6 O2 |
| Smiles: | C1CC2=NNC(N2CCC1NC(c1ccc2c(c1)nc[nH]2)=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 0.6713 |
| logD: | 0.6634 |
| logSw: | -1.8648 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 86.593 |
| InChI Key: | BYTWVIFOPLALEN-SNVBAGLBSA-N |