benzyl 2-methyl-5-[(3-nitrobenzene-1-sulfonyl)amino]naphtho[1,2-b]furan-3-carboxylate
Chemical Structure Depiction of
benzyl 2-methyl-5-[(3-nitrobenzene-1-sulfonyl)amino]naphtho[1,2-b]furan-3-carboxylate
benzyl 2-methyl-5-[(3-nitrobenzene-1-sulfonyl)amino]naphtho[1,2-b]furan-3-carboxylate
Compound characteristics
| Compound ID: | 4456-3639 |
| Compound Name: | benzyl 2-methyl-5-[(3-nitrobenzene-1-sulfonyl)amino]naphtho[1,2-b]furan-3-carboxylate |
| Molecular Weight: | 516.53 |
| Molecular Formula: | C27 H20 N2 O7 S |
| Smiles: | Cc1c(C(=O)OCc2ccccc2)c2cc(c3ccccc3c2o1)NS(c1cccc(c1)[N+]([O-])=O)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 5.5572 |
| logD: | 5.3929 |
| logSw: | -5.7846 |
| Hydrogen bond acceptors count: | 12 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 102.338 |
| InChI Key: | BURPTRQKQYLEFS-UHFFFAOYSA-N |