[4-(1,5-dimethyl-1H-pyrazole-3-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-(1,5-dimethyl-1H-pyrazole-3-carbonyl)-2-(3-methyl-1H-1,2,4-triazol-5-yl)-1,4-diazepan-1-yl](pyridin-4-yl)methanone
[4-(1,5-dimethyl-1H-pyrazole-3-carbonyl)-2-(3-methyl-1H-1,2,4-triazol-5-yl)-1,4-diazepan-1-yl](pyridin-4-yl)methanone
Compound characteristics
| Compound ID: | SA53-1053 |
| Compound Name: | [4-(1,5-dimethyl-1H-pyrazole-3-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: | Cc1nc(C2CN(CCCN2C(c2ccncc2)=O)C(c2cc(C)n(C)n2)=O)[nH]n1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | -0.3557 |
| logD: | -0.3587 |
| logSw: | -1.043 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 90.614 |
| InChI Key: | CNALCOQNQPWOCG-KRWDZBQOSA-N |