3-(benzylsulfanyl)-5-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-4-ethyl-4H-1,2,4-triazole
Chemical Structure Depiction of
3-(benzylsulfanyl)-5-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-4-ethyl-4H-1,2,4-triazole
3-(benzylsulfanyl)-5-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-4-ethyl-4H-1,2,4-triazole
Compound characteristics
| Compound ID: | J031-0135 |
| Compound Name: | 3-(benzylsulfanyl)-5-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-4-ethyl-4H-1,2,4-triazole |
| Molecular Weight: | 367.47 |
| Molecular Formula: | C20 H21 N3 O2 S |
| Smiles: | CCn1c(c2ccc3c(c2)OCCCO3)nnc1SCc1ccccc1 |
| Stereo: | ACHIRAL |
| logP: | 3.6831 |
| logD: | 3.6831 |
| logSw: | -3.8659 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 40.12 |
| InChI Key: | GSDUKAYRMAAUDL-UHFFFAOYSA-N |