1-(7,8-dimethyl-1,5-dihydro-3H-2,4-benzodithiepin-3-yl)-6-nitronaphthalen-2-ol
					Chemical Structure Depiction of
1-(7,8-dimethyl-1,5-dihydro-3H-2,4-benzodithiepin-3-yl)-6-nitronaphthalen-2-ol
			1-(7,8-dimethyl-1,5-dihydro-3H-2,4-benzodithiepin-3-yl)-6-nitronaphthalen-2-ol
Compound characteristics
| Compound ID: | 2729-1060 | 
| Compound Name: | 1-(7,8-dimethyl-1,5-dihydro-3H-2,4-benzodithiepin-3-yl)-6-nitronaphthalen-2-ol | 
| Molecular Weight: | 397.51 | 
| Molecular Formula: | C21 H19 N O3 S2 | 
| Smiles: | Cc1cc2CSC(c3c(ccc4cc(ccc34)[N+]([O-])=O)O)SCc2cc1C | 
| Stereo: | ACHIRAL | 
| logP: | 6.69 | 
| logD: | 6.6895 | 
| logSw: | -6.0936 | 
| Hydrogen bond acceptors count: | 7 | 
| Hydrogen bond donors count: | 1 | 
| Polar surface area: | 49.876 | 
| InChI Key: | ZBRJMMQHPOMZSY-UHFFFAOYSA-N | 
 
				 
				