sodium--[4-({(4-fluoro-3-methylbenzene-1-sulfonyl)[(4-methylphenyl)methyl]amino}methyl)benzamido]oxidanide (1/1)
Chemical Structure Depiction of
sodium--[4-({(4-fluoro-3-methylbenzene-1-sulfonyl)[(4-methylphenyl)methyl]amino}methyl)benzamido]oxidanide (1/1)
sodium--[4-({(4-fluoro-3-methylbenzene-1-sulfonyl)[(4-methylphenyl)methyl]amino}methyl)benzamido]oxidanide (1/1)
Compound characteristics
| Compound ID: | K783-3816 |
| Compound Name: | sodium--[4-({(4-fluoro-3-methylbenzene-1-sulfonyl)[(4-methylphenyl)methyl]amino}methyl)benzamido]oxidanide (1/1) |
| Molecular Weight: | 464.49 |
| Molecular Formula: | C23 H22 F N2 O4 S |
| Salt: | Na+ |
| Smiles: | Cc1ccc(CN(Cc2ccc(cc2)C(N[O-])=O)S(c2ccc(c(C)c2)F)(=O)=O)cc1 |
| Stereo: | ACHIRAL |
| logP: | 3.7991 |
| logD: | 3.7991 |
| logSw: | -3.9699 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 77.267 |
| InChI Key: | HFLZCJWQGAGYQW-UHFFFAOYSA-N |