methyl {4-[4-(1,1,2,2,3,3,3-heptafluoropropane-1-sulfonyl)-2-nitroanilino]phenyl}carbamate
Chemical Structure Depiction of
methyl {4-[4-(1,1,2,2,3,3,3-heptafluoropropane-1-sulfonyl)-2-nitroanilino]phenyl}carbamate
methyl {4-[4-(1,1,2,2,3,3,3-heptafluoropropane-1-sulfonyl)-2-nitroanilino]phenyl}carbamate
Compound characteristics
| Compound ID: | 3494-0092 |
| Compound Name: | methyl {4-[4-(1,1,2,2,3,3,3-heptafluoropropane-1-sulfonyl)-2-nitroanilino]phenyl}carbamate |
| Molecular Weight: | 519.35 |
| Molecular Formula: | C17 H12 F7 N3 O6 S |
| Smiles: | COC(Nc1ccc(cc1)Nc1ccc(cc1[N+]([O-])=O)S(C(C(C(F)(F)F)(F)F)(F)F)(=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 5.49 |
| logD: | 5.49 |
| logSw: | -5.4932 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 103.17 |
| InChI Key: | GUXUNOPPJHUXRK-UHFFFAOYSA-N |