4-cyclopropyl-3-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-5-{[2-(2-methoxyphenoxy)ethyl]sulfanyl}-4H-1,2,4-triazole
Chemical Structure Depiction of
4-cyclopropyl-3-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-5-{[2-(2-methoxyphenoxy)ethyl]sulfanyl}-4H-1,2,4-triazole
4-cyclopropyl-3-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-5-{[2-(2-methoxyphenoxy)ethyl]sulfanyl}-4H-1,2,4-triazole
Compound characteristics
| Compound ID: | J031-1733 |
| Compound Name: | 4-cyclopropyl-3-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-5-{[2-(2-methoxyphenoxy)ethyl]sulfanyl}-4H-1,2,4-triazole |
| Molecular Weight: | 439.53 |
| Molecular Formula: | C23 H25 N3 O4 S |
| Smiles: | COc1ccccc1OCCSc1nnc(c2ccc3c(c2)OCCCO3)n1C1CC1 |
| Stereo: | ACHIRAL |
| logP: | 3.6494 |
| logD: | 3.6494 |
| logSw: | -3.9198 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 56.166 |
| InChI Key: | RMFMUXJHICFJSD-UHFFFAOYSA-N |