4-cyclopropyl-3-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-5-[(2-phenoxyethyl)sulfanyl]-4H-1,2,4-triazole
Chemical Structure Depiction of
4-cyclopropyl-3-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-5-[(2-phenoxyethyl)sulfanyl]-4H-1,2,4-triazole
4-cyclopropyl-3-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-5-[(2-phenoxyethyl)sulfanyl]-4H-1,2,4-triazole
Compound characteristics
| Compound ID: | J031-1728 |
| Compound Name: | 4-cyclopropyl-3-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-5-[(2-phenoxyethyl)sulfanyl]-4H-1,2,4-triazole |
| Molecular Weight: | 409.51 |
| Molecular Formula: | C22 H23 N3 O3 S |
| Smiles: | C1COc2ccc(cc2OC1)c1nnc(n1C1CC1)SCCOc1ccccc1 |
| Stereo: | ACHIRAL |
| logP: | 3.9377 |
| logD: | 3.9377 |
| logSw: | -4.1041 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 48.449 |
| InChI Key: | LZYIXDQKKKDVMF-UHFFFAOYSA-N |