[4-({(2,3-dihydro-1,4-benzodioxine-6-sulfonyl)[(4-methylphenyl)methyl]amino}methyl)benzamido]oxidanide
Chemical Structure Depiction of
[4-({(2,3-dihydro-1,4-benzodioxine-6-sulfonyl)[(4-methylphenyl)methyl]amino}methyl)benzamido]oxidanide
[4-({(2,3-dihydro-1,4-benzodioxine-6-sulfonyl)[(4-methylphenyl)methyl]amino}methyl)benzamido]oxidanide
Compound characteristics
| Compound ID: | K783-3815 |
| Compound Name: | [4-({(2,3-dihydro-1,4-benzodioxine-6-sulfonyl)[(4-methylphenyl)methyl]amino}methyl)benzamido]oxidanide |
| Molecular Weight: | 490.51 |
| Molecular Formula: | C24 H23 N2 O6 S |
| Salt: | Na+ |
| Smiles: | Cc1ccc(CN(Cc2ccc(cc2)C(N[O-])=O)S(c2ccc3c(c2)OCCO3)(=O)=O)cc1 |
| Stereo: | ACHIRAL |
| logP: | 2.3476 |
| logD: | 2.3476 |
| logSw: | -2.9225 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 93.09 |
| InChI Key: | USMVSGQXOHEEHC-UHFFFAOYSA-N |