3-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-4-methyl-5-[(2-phenoxyethyl)sulfanyl]-4H-1,2,4-triazole
Chemical Structure Depiction of
3-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-4-methyl-5-[(2-phenoxyethyl)sulfanyl]-4H-1,2,4-triazole
3-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-4-methyl-5-[(2-phenoxyethyl)sulfanyl]-4H-1,2,4-triazole
Compound characteristics
| Compound ID: | J031-0038 |
| Compound Name: | 3-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-4-methyl-5-[(2-phenoxyethyl)sulfanyl]-4H-1,2,4-triazole |
| Molecular Weight: | 383.47 |
| Molecular Formula: | C20 H21 N3 O3 S |
| Smiles: | Cn1c(c2ccc3c(c2)OCCCO3)nnc1SCCOc1ccccc1 |
| Stereo: | ACHIRAL |
| logP: | 3.1928 |
| logD: | 3.1928 |
| logSw: | -3.2575 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 48.623 |
| InChI Key: | PSDIINSBZCDUDJ-UHFFFAOYSA-N |