1-(4-{[4-benzyl-5-(3-methyl-1H-1,2,4-triazol-5-yl)-1,4-diazepan-1-yl]methyl}piperidin-1-yl)ethan-1-one
Chemical Structure Depiction of
1-(4-{[4-benzyl-5-(3-methyl-1H-1,2,4-triazol-5-yl)-1,4-diazepan-1-yl]methyl}piperidin-1-yl)ethan-1-one
1-(4-{[4-benzyl-5-(3-methyl-1H-1,2,4-triazol-5-yl)-1,4-diazepan-1-yl]methyl}piperidin-1-yl)ethan-1-one
Compound characteristics
| Compound ID: | ZC44-0101 |
| Compound Name: | 1-(4-{[4-benzyl-5-(3-methyl-1H-1,2,4-triazol-5-yl)-1,4-diazepan-1-yl]methyl}piperidin-1-yl)ethan-1-one |
| Molecular Weight: | 410.56 |
| Molecular Formula: | C23 H34 N6 O |
| Smiles: | CC(N1CCC(CC1)CN1CCC(c2nc(C)n[nH]2)N(CC1)Cc1ccccc1)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.0456 |
| logD: | 1.2841 |
| logSw: | -2.4127 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 58.488 |
| InChI Key: | NTCXDPLJZQOCPU-JOCHJYFZSA-N |