[4-(1,3-dimethyl-1H-pyrazole-5-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-(1,3-dimethyl-1H-pyrazole-5-carbonyl)-2-(3-methyl-1H-1,2,4-triazol-5-yl)-1,4-diazepan-1-yl](pyridin-4-yl)methanone
[4-(1,3-dimethyl-1H-pyrazole-5-carbonyl)-2-(3-methyl-1H-1,2,4-triazol-5-yl)-1,4-diazepan-1-yl](pyridin-4-yl)methanone
Compound characteristics
| Compound ID: | SA53-1057 |
| Compound Name: | [4-(1,3-dimethyl-1H-pyrazole-5-carbonyl)-2-(3-methyl-1H-1,2,4-triazol-5-yl)-1,4-diazepan-1-yl](pyridin-4-yl)methanone |
| Molecular Weight: | 408.46 |
| Molecular Formula: | C20 H24 N8 O2 |
| Smiles: | Cc1cc(C(N2CCCN(C(C2)c2nc(C)n[nH]2)C(c2ccncc2)=O)=O)n(C)n1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | -0.5167 |
| logD: | -0.5197 |
| logSw: | -1.0459 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 89.45 |
| InChI Key: | OYWXHKQPTPZGJX-KRWDZBQOSA-N |