methyl 2-methyl-5-[(4-methyl-3-nitrobenzene-1-sulfonyl)amino]naphtho[1,2-b]furan-3-carboxylate
Chemical Structure Depiction of
methyl 2-methyl-5-[(4-methyl-3-nitrobenzene-1-sulfonyl)amino]naphtho[1,2-b]furan-3-carboxylate
methyl 2-methyl-5-[(4-methyl-3-nitrobenzene-1-sulfonyl)amino]naphtho[1,2-b]furan-3-carboxylate
Compound characteristics
| Compound ID: | 5591-2113 |
| Compound Name: | methyl 2-methyl-5-[(4-methyl-3-nitrobenzene-1-sulfonyl)amino]naphtho[1,2-b]furan-3-carboxylate |
| Molecular Weight: | 454.46 |
| Molecular Formula: | C22 H18 N2 O7 S |
| Smiles: | Cc1ccc(cc1[N+]([O-])=O)S(Nc1cc2c(C(=O)OC)c(C)oc2c2ccccc12)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.8111 |
| logD: | 4.6468 |
| logSw: | -5.0197 |
| Hydrogen bond acceptors count: | 12 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 102.354 |
| InChI Key: | DTPAEORJBDQDBB-UHFFFAOYSA-N |