methyl 2-methyl-5-[(2-methyl-5-nitrobenzene-1-sulfonyl)amino]naphtho[1,2-b]furan-3-carboxylate
Chemical Structure Depiction of
methyl 2-methyl-5-[(2-methyl-5-nitrobenzene-1-sulfonyl)amino]naphtho[1,2-b]furan-3-carboxylate
methyl 2-methyl-5-[(2-methyl-5-nitrobenzene-1-sulfonyl)amino]naphtho[1,2-b]furan-3-carboxylate
Compound characteristics
| Compound ID: | 5591-3673 |
| Compound Name: | methyl 2-methyl-5-[(2-methyl-5-nitrobenzene-1-sulfonyl)amino]naphtho[1,2-b]furan-3-carboxylate |
| Molecular Weight: | 454.46 |
| Molecular Formula: | C22 H18 N2 O7 S |
| Smiles: | Cc1ccc(cc1S(Nc1cc2c(C(=O)OC)c(C)oc2c2ccccc12)(=O)=O)[N+]([O-])=O |
| Stereo: | ACHIRAL |
| logP: | 4.6722 |
| logD: | 4.1514 |
| logSw: | -4.6583 |
| Hydrogen bond acceptors count: | 12 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 102.654 |
| InChI Key: | PKQRVCQBURJZFU-UHFFFAOYSA-N |