1-benzyl-2-(3-methyl-1H-1,2,4-triazol-5-yl)-4-(phenylmethanesulfonyl)-1,4-diazepane
Chemical Structure Depiction of
1-benzyl-2-(3-methyl-1H-1,2,4-triazol-5-yl)-4-(phenylmethanesulfonyl)-1,4-diazepane
1-benzyl-2-(3-methyl-1H-1,2,4-triazol-5-yl)-4-(phenylmethanesulfonyl)-1,4-diazepane
Compound characteristics
| Compound ID: | SA53-0212 |
| Compound Name: | 1-benzyl-2-(3-methyl-1H-1,2,4-triazol-5-yl)-4-(phenylmethanesulfonyl)-1,4-diazepane |
| Molecular Weight: | 425.55 |
| Molecular Formula: | C22 H27 N5 O2 S |
| Smiles: | Cc1nc(C2CN(CCCN2Cc2ccccc2)S(Cc2ccccc2)(=O)=O)[nH]n1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.2665 |
| logD: | 2.2658 |
| logSw: | -2.6489 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 68.906 |
| InChI Key: | VIYZYGNRNYIXLC-NRFANRHFSA-N |