1-[4-(methoxyacetyl)-2-(3-methyl-1H-1,2,4-triazol-5-yl)-1,4-diazepan-1-yl]-2-methylpropan-1-one
Chemical Structure Depiction of
1-[4-(methoxyacetyl)-2-(3-methyl-1H-1,2,4-triazol-5-yl)-1,4-diazepan-1-yl]-2-methylpropan-1-one
1-[4-(methoxyacetyl)-2-(3-methyl-1H-1,2,4-triazol-5-yl)-1,4-diazepan-1-yl]-2-methylpropan-1-one
Compound characteristics
| Compound ID: | SA53-0536 |
| Compound Name: | 1-[4-(methoxyacetyl)-2-(3-methyl-1H-1,2,4-triazol-5-yl)-1,4-diazepan-1-yl]-2-methylpropan-1-one |
| Molecular Weight: | 323.39 |
| Molecular Formula: | C15 H25 N5 O3 |
| Smiles: | CC(C)C(N1CCCN(CC1c1nc(C)n[nH]1)C(COC)=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | -0.3017 |
| logD: | -0.3023 |
| logSw: | -0.7475 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 75.139 |
| InChI Key: | XCESDJYNGSIEAO-LBPRGKRZSA-N |