6',6'-dimethyl-2-phenyl-2'-sulfanylidene-2,3-dihydrospiro[[1]benzopyran-4,4'-[1,3]diazinan]-7-yl 2-nitrobenzene-1-sulfonate
Chemical Structure Depiction of
6',6'-dimethyl-2-phenyl-2'-sulfanylidene-2,3-dihydrospiro[[1]benzopyran-4,4'-[1,3]diazinan]-7-yl 2-nitrobenzene-1-sulfonate
6',6'-dimethyl-2-phenyl-2'-sulfanylidene-2,3-dihydrospiro[[1]benzopyran-4,4'-[1,3]diazinan]-7-yl 2-nitrobenzene-1-sulfonate
Compound characteristics
| Compound ID: | 8009-2077 |
| Compound Name: | 6',6'-dimethyl-2-phenyl-2'-sulfanylidene-2,3-dihydrospiro[[1]benzopyran-4,4'-[1,3]diazinan]-7-yl 2-nitrobenzene-1-sulfonate |
| Molecular Weight: | 539.63 |
| Molecular Formula: | C26 H25 N3 O6 S2 |
| Smiles: | CC1(C)CC2(CC(c3ccccc3)Oc3cc(ccc23)OS(c2ccccc2[N+]([O-])=O)(=O)=O)NC(N1)=S |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 5.0521 |
| logD: | 5.0521 |
| logSw: | -4.7189 |
| Hydrogen bond acceptors count: | 12 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 98.782 |
| InChI Key: | HFLKURUFCFVKQL-UHFFFAOYSA-N |