1-benzyl-4-(2,4-difluorobenzene-1-sulfonyl)-2-(3-methyl-1H-1,2,4-triazol-5-yl)-1,4-diazepane
Chemical Structure Depiction of
1-benzyl-4-(2,4-difluorobenzene-1-sulfonyl)-2-(3-methyl-1H-1,2,4-triazol-5-yl)-1,4-diazepane
1-benzyl-4-(2,4-difluorobenzene-1-sulfonyl)-2-(3-methyl-1H-1,2,4-triazol-5-yl)-1,4-diazepane
Compound characteristics
| Compound ID: | SA53-0238 |
| Compound Name: | 1-benzyl-4-(2,4-difluorobenzene-1-sulfonyl)-2-(3-methyl-1H-1,2,4-triazol-5-yl)-1,4-diazepane |
| Molecular Weight: | 447.51 |
| Molecular Formula: | C21 H23 F2 N5 O2 S |
| Smiles: | Cc1nc(C2CN(CCCN2Cc2ccccc2)S(c2ccc(cc2F)F)(=O)=O)[nH]n1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.6892 |
| logD: | 2.6885 |
| logSw: | -3.1107 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 69.012 |
| InChI Key: | LYJXHKGGEYDKNZ-IBGZPJMESA-N |