1-methyl-N-(2-methyl-3-oxo-2,5,6,7,8,9-hexahydro-3H-[1,2,4]triazolo[4,3-a]azepin-7-yl)-1H-pyrrole-2-carboxamide
Chemical Structure Depiction of
1-methyl-N-(2-methyl-3-oxo-2,5,6,7,8,9-hexahydro-3H-[1,2,4]triazolo[4,3-a]azepin-7-yl)-1H-pyrrole-2-carboxamide
1-methyl-N-(2-methyl-3-oxo-2,5,6,7,8,9-hexahydro-3H-[1,2,4]triazolo[4,3-a]azepin-7-yl)-1H-pyrrole-2-carboxamide
Compound characteristics
| Compound ID: | S638-0543 |
| Compound Name: | 1-methyl-N-(2-methyl-3-oxo-2,5,6,7,8,9-hexahydro-3H-[1,2,4]triazolo[4,3-a]azepin-7-yl)-1H-pyrrole-2-carboxamide |
| Molecular Weight: | 289.33 |
| Molecular Formula: | C14 H19 N5 O2 |
| Smiles: | CN1C(N2CCC(CCC2=N1)NC(c1cccn1C)=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 1.4082 |
| logD: | 1.4081 |
| logSw: | -1.6716 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 59.83 |
| InChI Key: | JXPWHOANKPMNQJ-SNVBAGLBSA-N |