1-[4-(1-ethyl-1H-pyrazole-5-carbonyl)-7-(3-methyl-1,2,4-oxadiazol-5-yl)-1,4-diazepan-1-yl]ethan-1-one
Chemical Structure Depiction of
1-[4-(1-ethyl-1H-pyrazole-5-carbonyl)-7-(3-methyl-1,2,4-oxadiazol-5-yl)-1,4-diazepan-1-yl]ethan-1-one
1-[4-(1-ethyl-1H-pyrazole-5-carbonyl)-7-(3-methyl-1,2,4-oxadiazol-5-yl)-1,4-diazepan-1-yl]ethan-1-one
Compound characteristics
| Compound ID: | S990-0602 |
| Compound Name: | 1-[4-(1-ethyl-1H-pyrazole-5-carbonyl)-7-(3-methyl-1,2,4-oxadiazol-5-yl)-1,4-diazepan-1-yl]ethan-1-one |
| Molecular Weight: | 346.39 |
| Molecular Formula: | C16 H22 N6 O3 |
| Smiles: | CCn1c(ccn1)C(N1CCC(c2nc(C)no2)N(CC1)C(C)=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | -0.041 |
| logD: | -0.041 |
| logSw: | -1.2151 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 78.486 |
| InChI Key: | VDYSVKYVGKZISI-CYBMUJFWSA-N |