[4-benzoyl-2-(3-methyl-1H-1,2,4-triazol-5-yl)-1,4-diazepan-1-yl](pyridin-4-yl)methanone
Chemical Structure Depiction of
[4-benzoyl-2-(3-methyl-1H-1,2,4-triazol-5-yl)-1,4-diazepan-1-yl](pyridin-4-yl)methanone
[4-benzoyl-2-(3-methyl-1H-1,2,4-triazol-5-yl)-1,4-diazepan-1-yl](pyridin-4-yl)methanone
Compound characteristics
| Compound ID: | SA53-1043 |
| Compound Name: | [4-benzoyl-2-(3-methyl-1H-1,2,4-triazol-5-yl)-1,4-diazepan-1-yl](pyridin-4-yl)methanone |
| Molecular Weight: | 390.44 |
| Molecular Formula: | C21 H22 N6 O2 |
| Smiles: | Cc1nc(C2CN(CCCN2C(c2ccncc2)=O)C(c2ccccc2)=O)[nH]n1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 0.7214 |
| logD: | 0.7183 |
| logSw: | -1.0258 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 76.127 |
| InChI Key: | UXLIRCXDGULJKF-SFHVURJKSA-N |