1-methyl-N-(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-(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-(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: | S638-0155 |
| 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-pyrrole-2-carboxamide |
| Molecular Weight: | 275.31 |
| Molecular Formula: | C13 H17 N5 O2 |
| Smiles: | Cn1cccc1C(NC1CCC2=NNC(N2CC1)=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 1.3822 |
| logD: | 1.3757 |
| logSw: | -1.899 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 68.48 |
| InChI Key: | OUKAUJUVSXDCIC-SECBINFHSA-N |