N-[(4-methoxyphenyl)methyl]-3-(pyridin-3-yl)-6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepine-5-carboxamide
Chemical Structure Depiction of
N-[(4-methoxyphenyl)methyl]-3-(pyridin-3-yl)-6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepine-5-carboxamide
N-[(4-methoxyphenyl)methyl]-3-(pyridin-3-yl)-6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepine-5-carboxamide
Compound characteristics
| Compound ID: | T149-1403 |
| Compound Name: | N-[(4-methoxyphenyl)methyl]-3-(pyridin-3-yl)-6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepine-5-carboxamide |
| Molecular Weight: | 377.44 |
| Molecular Formula: | C21 H23 N5 O2 |
| Smiles: | COc1ccc(CNC(C2CCCCc3nnc(c4cccnc4)n23)=O)cc1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 1.4293 |
| logD: | 1.3937 |
| logSw: | -1.0915 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 67.737 |
| InChI Key: | USLOTVGCHWVUPG-SFHVURJKSA-N |