1-{2-[4-(cyclopentanecarbonyl)-5-(3-methyl-1,2,4-oxadiazol-5-yl)-1,4-diazepan-1-yl]-2-oxoethyl}-4,6-dimethylpyrimidin-2(1H)-one
Chemical Structure Depiction of
1-{2-[4-(cyclopentanecarbonyl)-5-(3-methyl-1,2,4-oxadiazol-5-yl)-1,4-diazepan-1-yl]-2-oxoethyl}-4,6-dimethylpyrimidin-2(1H)-one
1-{2-[4-(cyclopentanecarbonyl)-5-(3-methyl-1,2,4-oxadiazol-5-yl)-1,4-diazepan-1-yl]-2-oxoethyl}-4,6-dimethylpyrimidin-2(1H)-one
Compound characteristics
| Compound ID: | S990-0686 |
| Compound Name: | 1-{2-[4-(cyclopentanecarbonyl)-5-(3-methyl-1,2,4-oxadiazol-5-yl)-1,4-diazepan-1-yl]-2-oxoethyl}-4,6-dimethylpyrimidin-2(1H)-one |
| Molecular Weight: | 442.52 |
| Molecular Formula: | C22 H30 N6 O4 |
| Smiles: | CC1=CC(C)=NC(N1CC(N1CCC(c2nc(C)no2)N(CC1)C(C1CCCC1)=O)=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 1.4637 |
| logD: | 1.4636 |
| logSw: | -1.4772 |
| Hydrogen bond acceptors count: | 10 |
| Polar surface area: | 88.154 |
| InChI Key: | VGWGWAKRSXBUBY-GOSISDBHSA-N |