4-(3,4-dimethylphenyl)-5-hydroxy-7,8-dimethyl-2H-naphtho[2,1-d][1,3]oxathiol-2-one
Chemical Structure Depiction of
4-(3,4-dimethylphenyl)-5-hydroxy-7,8-dimethyl-2H-naphtho[2,1-d][1,3]oxathiol-2-one
4-(3,4-dimethylphenyl)-5-hydroxy-7,8-dimethyl-2H-naphtho[2,1-d][1,3]oxathiol-2-one
Compound characteristics
| Compound ID: | 6192-0058 |
| Compound Name: | 4-(3,4-dimethylphenyl)-5-hydroxy-7,8-dimethyl-2H-naphtho[2,1-d][1,3]oxathiol-2-one |
| Molecular Weight: | 350.43 |
| Molecular Formula: | C21 H18 O3 S |
| Smiles: | Cc1ccc(cc1C)c1c(c2cc(C)c(C)cc2c2c1SC(=O)O2)O |
| Stereo: | ACHIRAL |
| logP: | 6.3288 |
| logD: | 6.3287 |
| logSw: | -5.5835 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 36.931 |
| InChI Key: | WKRAYFCVIACWFB-UHFFFAOYSA-N |