methyl 2-tert-butyl-5-[(4-methyl-3-nitrobenzene-1-sulfonyl)amino]naphtho[1,2-b]furan-3-carboxylate
Chemical Structure Depiction of
methyl 2-tert-butyl-5-[(4-methyl-3-nitrobenzene-1-sulfonyl)amino]naphtho[1,2-b]furan-3-carboxylate
methyl 2-tert-butyl-5-[(4-methyl-3-nitrobenzene-1-sulfonyl)amino]naphtho[1,2-b]furan-3-carboxylate
Compound characteristics
| Compound ID: | 5591-2112 |
| Compound Name: | methyl 2-tert-butyl-5-[(4-methyl-3-nitrobenzene-1-sulfonyl)amino]naphtho[1,2-b]furan-3-carboxylate |
| Molecular Weight: | 496.54 |
| Molecular Formula: | C25 H24 N2 O7 S |
| Smiles: | Cc1ccc(cc1[N+]([O-])=O)S(Nc1cc2c(C(=O)OC)c(C(C)(C)C)oc2c2ccccc12)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 6.1653 |
| logD: | 6.001 |
| logSw: | -5.8065 |
| Hydrogen bond acceptors count: | 12 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 102.932 |
| InChI Key: | CULINYCEZNOCGR-UHFFFAOYSA-N |