[4-(1-methyl-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-methyl-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-methyl-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: | SA53-1059 |
| Compound Name: | [4-(1-methyl-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: | 394.43 |
| Molecular Formula: | C19 H22 N8 O2 |
| Smiles: | Cc1nc(C2CN(CCCN2C(c2ccncc2)=O)C(c2ccn(C)n2)=O)[nH]n1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | -0.6642 |
| logD: | -0.6672 |
| logSw: | -0.7493 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 90.819 |
| InChI Key: | CCCZTEJMGAKBOE-INIZCTEOSA-N |