[4-benzyl-3-(3-methyl-1H-1,2,4-triazol-5-yl)-1,4-diazepan-1-yl][4-(methoxymethyl)-5-methyl-1,2-oxazol-3-yl]methanone
Chemical Structure Depiction of
[4-benzyl-3-(3-methyl-1H-1,2,4-triazol-5-yl)-1,4-diazepan-1-yl][4-(methoxymethyl)-5-methyl-1,2-oxazol-3-yl]methanone
[4-benzyl-3-(3-methyl-1H-1,2,4-triazol-5-yl)-1,4-diazepan-1-yl][4-(methoxymethyl)-5-methyl-1,2-oxazol-3-yl]methanone
Compound characteristics
| Compound ID: | SA53-0318 |
| Compound Name: | [4-benzyl-3-(3-methyl-1H-1,2,4-triazol-5-yl)-1,4-diazepan-1-yl][4-(methoxymethyl)-5-methyl-1,2-oxazol-3-yl]methanone |
| Molecular Weight: | 424.5 |
| Molecular Formula: | C22 H28 N6 O3 |
| Smiles: | Cc1nc(C2CN(CCCN2Cc2ccccc2)C(c2c(COC)c(C)on2)=O)[nH]n1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 1.5731 |
| logD: | 1.5714 |
| logSw: | -1.9071 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 84.605 |
| InChI Key: | FKOROKXAWOWCOO-IBGZPJMESA-N |