[4-benzoyl-3-(3-methyl-1H-1,2,4-triazol-5-yl)-1,4-diazepan-1-yl](3,5-dimethyl-1,2-oxazol-4-yl)methanone
Chemical Structure Depiction of
[4-benzoyl-3-(3-methyl-1H-1,2,4-triazol-5-yl)-1,4-diazepan-1-yl](3,5-dimethyl-1,2-oxazol-4-yl)methanone
[4-benzoyl-3-(3-methyl-1H-1,2,4-triazol-5-yl)-1,4-diazepan-1-yl](3,5-dimethyl-1,2-oxazol-4-yl)methanone
Compound characteristics
| Compound ID: | SA53-0936 |
| Compound Name: | [4-benzoyl-3-(3-methyl-1H-1,2,4-triazol-5-yl)-1,4-diazepan-1-yl](3,5-dimethyl-1,2-oxazol-4-yl)methanone |
| Molecular Weight: | 408.46 |
| Molecular Formula: | C21 H24 N6 O3 |
| Smiles: | Cc1c(C(N2CCCN(C(C2)c2nc(C)n[nH]2)C(c2ccccc2)=O)=O)c(C)on1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 1.1194 |
| logD: | 1.1187 |
| logSw: | -1.8527 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 88.737 |
| InChI Key: | QZXNJPJZQHDYKU-KRWDZBQOSA-N |