1-[4-benzyl-3-(3-methyl-1H-1,2,4-triazol-5-yl)-1,4-diazepan-1-yl]-3-(4-methoxyphenyl)propan-1-one
Chemical Structure Depiction of
1-[4-benzyl-3-(3-methyl-1H-1,2,4-triazol-5-yl)-1,4-diazepan-1-yl]-3-(4-methoxyphenyl)propan-1-one
1-[4-benzyl-3-(3-methyl-1H-1,2,4-triazol-5-yl)-1,4-diazepan-1-yl]-3-(4-methoxyphenyl)propan-1-one
Compound characteristics
| Compound ID: | SA53-0234 |
| Compound Name: | 1-[4-benzyl-3-(3-methyl-1H-1,2,4-triazol-5-yl)-1,4-diazepan-1-yl]-3-(4-methoxyphenyl)propan-1-one |
| Molecular Weight: | 433.55 |
| Molecular Formula: | C25 H31 N5 O2 |
| Smiles: | Cc1nc(C2CN(CCCN2Cc2ccccc2)C(CCc2ccc(cc2)OC)=O)[nH]n1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.1068 |
| logD: | 3.1033 |
| logSw: | -3.2784 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 60.965 |
| InChI Key: | OKSQUIRQKLZFQF-QHCPKHFHSA-N |