1-(azepan-1-yl)-2-{[5-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-4-(propan-2-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}ethan-1-one
					Chemical Structure Depiction of
1-(azepan-1-yl)-2-{[5-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-4-(propan-2-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}ethan-1-one
			1-(azepan-1-yl)-2-{[5-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-4-(propan-2-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}ethan-1-one
Compound characteristics
| Compound ID: | J031-2250 | 
| Compound Name: | 1-(azepan-1-yl)-2-{[5-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-4-(propan-2-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}ethan-1-one | 
| Molecular Weight: | 430.57 | 
| Molecular Formula: | C22 H30 N4 O3 S | 
| Smiles: | CC(C)n1c(c2ccc3c(c2)OCCCO3)nnc1SCC(N1CCCCCC1)=O | 
| Stereo: | ACHIRAL | 
| logP: | 3.3795 | 
| logD: | 3.3793 | 
| logSw: | -3.6299 | 
| Hydrogen bond acceptors count: | 7 | 
| Polar surface area: | 58.194 | 
| InChI Key: | SPLATJDCGSZRKI-UHFFFAOYSA-N | 
 
				 
				