1-[(furan-2-yl)methyl]-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-[(furan-2-yl)methyl]-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-[(furan-2-yl)methyl]-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: | S637-0180 |
| Compound Name: | 1-[(furan-2-yl)methyl]-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: | 367.45 |
| Molecular Formula: | C20 H25 N5 O2 |
| Smiles: | Cc1cc(C(NC2CCc3nnc(C)n3CC2)=O)c(C)n1Cc1ccco1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 1.7527 |
| logD: | 1.7502 |
| logSw: | -2.5023 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 59.928 |
| InChI Key: | USXHTLCOBODMNK-INIZCTEOSA-N |