1-benzyl-2-(3-methyl-1H-1,2,4-triazol-5-yl)-4-(propane-1-sulfonyl)-1,4-diazepane
Chemical Structure Depiction of
1-benzyl-2-(3-methyl-1H-1,2,4-triazol-5-yl)-4-(propane-1-sulfonyl)-1,4-diazepane
1-benzyl-2-(3-methyl-1H-1,2,4-triazol-5-yl)-4-(propane-1-sulfonyl)-1,4-diazepane
Compound characteristics
| Compound ID: | SA53-0216 |
| Compound Name: | 1-benzyl-2-(3-methyl-1H-1,2,4-triazol-5-yl)-4-(propane-1-sulfonyl)-1,4-diazepane |
| Molecular Weight: | 377.51 |
| Molecular Formula: | C18 H27 N5 O2 S |
| Smiles: | CCCS(N1CCCN(Cc2ccccc2)C(C1)c1nc(C)n[nH]1)(=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 1.6483 |
| logD: | 1.6477 |
| logSw: | -2.3223 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 69.177 |
| InChI Key: | NCLSWZZSOBEDCL-KRWDZBQOSA-N |