[4-benzyl-3-(3-methyl-1H-1,2,4-triazol-5-yl)-1,4-diazepan-1-yl](pyrimidin-4-yl)methanone
Chemical Structure Depiction of
[4-benzyl-3-(3-methyl-1H-1,2,4-triazol-5-yl)-1,4-diazepan-1-yl](pyrimidin-4-yl)methanone
[4-benzyl-3-(3-methyl-1H-1,2,4-triazol-5-yl)-1,4-diazepan-1-yl](pyrimidin-4-yl)methanone
Compound characteristics
| Compound ID: | SA53-0265 |
| Compound Name: | [4-benzyl-3-(3-methyl-1H-1,2,4-triazol-5-yl)-1,4-diazepan-1-yl](pyrimidin-4-yl)methanone |
| Molecular Weight: | 377.45 |
| Molecular Formula: | C20 H23 N7 O |
| Smiles: | Cc1nc(C2CN(CCCN2Cc2ccccc2)C(c2ccncn2)=O)[nH]n1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 0.9912 |
| logD: | 0.9896 |
| logSw: | -1.5906 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 74.139 |
| InChI Key: | ZMQIRSKRMWYCHC-SFHVURJKSA-N |