[4-(3,5-dimethyl-1,2-oxazole-4-carbonyl)-2-(3-methyl-1H-1,2,4-triazol-5-yl)-1,4-diazepan-1-yl](pyridin-4-yl)methanone
Chemical Structure Depiction of
[4-(3,5-dimethyl-1,2-oxazole-4-carbonyl)-2-(3-methyl-1H-1,2,4-triazol-5-yl)-1,4-diazepan-1-yl](pyridin-4-yl)methanone
[4-(3,5-dimethyl-1,2-oxazole-4-carbonyl)-2-(3-methyl-1H-1,2,4-triazol-5-yl)-1,4-diazepan-1-yl](pyridin-4-yl)methanone
Compound characteristics
| Compound ID: | SA53-1056 |
| Compound Name: | [4-(3,5-dimethyl-1,2-oxazole-4-carbonyl)-2-(3-methyl-1H-1,2,4-triazol-5-yl)-1,4-diazepan-1-yl](pyridin-4-yl)methanone |
| Molecular Weight: | 409.45 |
| Molecular Formula: | C20 H23 N7 O3 |
| Smiles: | Cc1c(C(N2CCCN(C(C2)c2nc(C)n[nH]2)C(c2ccncc2)=O)=O)c(C)on1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | -0.0246 |
| logD: | -0.0277 |
| logSw: | -0.9392 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 98.165 |
| InChI Key: | XOPXKJPPPRHGDU-INIZCTEOSA-N |