[4-({(2,3-dihydro-1,4-benzodioxine-6-sulfonyl)[(2-methylphenyl)methyl]amino}methyl)benzamido]oxidanide
Chemical Structure Depiction of
[4-({(2,3-dihydro-1,4-benzodioxine-6-sulfonyl)[(2-methylphenyl)methyl]amino}methyl)benzamido]oxidanide
[4-({(2,3-dihydro-1,4-benzodioxine-6-sulfonyl)[(2-methylphenyl)methyl]amino}methyl)benzamido]oxidanide
Compound characteristics
| Compound ID: | K783-3540 |
| Compound Name: | [4-({(2,3-dihydro-1,4-benzodioxine-6-sulfonyl)[(2-methylphenyl)methyl]amino}methyl)benzamido]oxidanide |
| Molecular Weight: | 490.51 |
| Molecular Formula: | C24 H23 N2 O6 S |
| Salt: | Na+ |
| Smiles: | Cc1ccccc1CN(Cc1ccc(cc1)C(N[O-])=O)S(c1ccc2c(c1)OCCO2)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.6748 |
| logD: | 2.6748 |
| logSw: | -3.0552 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 93.09 |
| InChI Key: | BOZZQHRSAXJZEA-UHFFFAOYSA-N |