1-{4-[5-methyl-4-(phenoxymethyl)-1,2-oxazole-3-carbonyl]-1,4-diazepan-1-yl}but-2-yn-1-one
Chemical Structure Depiction of
1-{4-[5-methyl-4-(phenoxymethyl)-1,2-oxazole-3-carbonyl]-1,4-diazepan-1-yl}but-2-yn-1-one
1-{4-[5-methyl-4-(phenoxymethyl)-1,2-oxazole-3-carbonyl]-1,4-diazepan-1-yl}but-2-yn-1-one
Compound characteristics
| Compound ID: | T002-0912 |
| Compound Name: | 1-{4-[5-methyl-4-(phenoxymethyl)-1,2-oxazole-3-carbonyl]-1,4-diazepan-1-yl}but-2-yn-1-one |
| Molecular Weight: | 381.43 |
| Molecular Formula: | C21 H23 N3 O4 |
| Smiles: | CC#CC(N1CCCN(CC1)C(c1c(COc2ccccc2)c(C)on1)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.3885 |
| logD: | 2.3885 |
| logSw: | -2.3344 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 62.877 |
| InChI Key: | HYEHVMPJCLXGLL-UHFFFAOYSA-N |