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 |