3-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-4-methyl-5-{[2-(2-methylphenoxy)ethyl]sulfanyl}-4H-1,2,4-triazole
					Chemical Structure Depiction of
3-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-4-methyl-5-{[2-(2-methylphenoxy)ethyl]sulfanyl}-4H-1,2,4-triazole
			3-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-4-methyl-5-{[2-(2-methylphenoxy)ethyl]sulfanyl}-4H-1,2,4-triazole
Compound characteristics
| Compound ID: | J031-0039 | 
| Compound Name: | 3-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-4-methyl-5-{[2-(2-methylphenoxy)ethyl]sulfanyl}-4H-1,2,4-triazole | 
| Molecular Weight: | 397.49 | 
| Molecular Formula: | C21 H23 N3 O3 S | 
| Smiles: | Cc1ccccc1OCCSc1nnc(c2ccc3c(c2)OCCCO3)n1C | 
| Stereo: | ACHIRAL | 
| logP: | 3.6322 | 
| logD: | 3.6322 | 
| logSw: | -3.896 | 
| Hydrogen bond acceptors count: | 6 | 
| Polar surface area: | 48.709 | 
| InChI Key: | ZQPFYCGSZPBBEY-UHFFFAOYSA-N | 
 
				 
				