2-{[5-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-4-methyl-4H-1,2,4-triazol-3-yl]sulfanyl}-1-(1-methyl-1H-indol-3-yl)ethan-1-one
					Chemical Structure Depiction of
2-{[5-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-4-methyl-4H-1,2,4-triazol-3-yl]sulfanyl}-1-(1-methyl-1H-indol-3-yl)ethan-1-one
			2-{[5-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-4-methyl-4H-1,2,4-triazol-3-yl]sulfanyl}-1-(1-methyl-1H-indol-3-yl)ethan-1-one
Compound characteristics
| Compound ID: | J031-0009 | 
| Compound Name: | 2-{[5-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-4-methyl-4H-1,2,4-triazol-3-yl]sulfanyl}-1-(1-methyl-1H-indol-3-yl)ethan-1-one | 
| Molecular Weight: | 434.52 | 
| Molecular Formula: | C23 H22 N4 O3 S | 
| Smiles: | Cn1cc(C(CSc2nnc(c3ccc4c(c3)OCCCO4)n2C)=O)c2ccccc12 | 
| Stereo: | ACHIRAL | 
| logP: | 3.2319 | 
| logD: | 3.2318 | 
| logSw: | -3.36 | 
| Hydrogen bond acceptors count: | 7 | 
| Polar surface area: | 57.011 | 
| InChI Key: | SGANBCOQRNXOIN-UHFFFAOYSA-N | 
 
				 
				