1-(2-methoxyethyl)-2,5-dimethyl-N-(3-methyl-6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-7-yl)-1H-pyrrole-3-carboxamide
Chemical Structure Depiction of
1-(2-methoxyethyl)-2,5-dimethyl-N-(3-methyl-6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-7-yl)-1H-pyrrole-3-carboxamide
1-(2-methoxyethyl)-2,5-dimethyl-N-(3-methyl-6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-7-yl)-1H-pyrrole-3-carboxamide
Compound characteristics
| Compound ID: | S637-0182 |
| Compound Name: | 1-(2-methoxyethyl)-2,5-dimethyl-N-(3-methyl-6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-7-yl)-1H-pyrrole-3-carboxamide |
| Molecular Weight: | 345.44 |
| Molecular Formula: | C18 H27 N5 O2 |
| Smiles: | Cc1cc(C(NC2CCc3nnc(C)n3CC2)=O)c(C)n1CCOC |
| Stereo: | RACEMIC MIXTURE |
| logP: | 0.7708 |
| logD: | 0.7683 |
| logSw: | -1.7866 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 60.772 |
| InChI Key: | ZPWIPNDVZCVXHF-HNNXBMFYSA-N |