{4-[(1-ethyl-3-methyl-1H-pyrazol-4-yl)methyl]-2-(3-methyl-1H-1,2,4-triazol-5-yl)-1,4-diazepan-1-yl}(phenyl)methanone
Chemical Structure Depiction of
{4-[(1-ethyl-3-methyl-1H-pyrazol-4-yl)methyl]-2-(3-methyl-1H-1,2,4-triazol-5-yl)-1,4-diazepan-1-yl}(phenyl)methanone
{4-[(1-ethyl-3-methyl-1H-pyrazol-4-yl)methyl]-2-(3-methyl-1H-1,2,4-triazol-5-yl)-1,4-diazepan-1-yl}(phenyl)methanone
Compound characteristics
| Compound ID: | SA53-0943 |
| Compound Name: | {4-[(1-ethyl-3-methyl-1H-pyrazol-4-yl)methyl]-2-(3-methyl-1H-1,2,4-triazol-5-yl)-1,4-diazepan-1-yl}(phenyl)methanone |
| Molecular Weight: | 407.52 |
| Molecular Formula: | C22 H29 N7 O |
| Smiles: | CCn1cc(CN2CCCN(C(C2)c2nc(C)n[nH]2)C(c2ccccc2)=O)c(C)n1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 1.2885 |
| logD: | -2.4636 |
| logSw: | -1.9615 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 68.638 |
| InChI Key: | OVNCHEQQFIQYQJ-FQEVSTJZSA-N |