5-({acetyl[(oxolan-2-yl)methyl]amino}methyl)-2-methoxyphenyl 3,4-dichlorobenzene-1-sulfonate
Chemical Structure Depiction of
5-({acetyl[(oxolan-2-yl)methyl]amino}methyl)-2-methoxyphenyl 3,4-dichlorobenzene-1-sulfonate
5-({acetyl[(oxolan-2-yl)methyl]amino}methyl)-2-methoxyphenyl 3,4-dichlorobenzene-1-sulfonate
Compound characteristics
| Compound ID: | V025-5588 |
| Compound Name: | 5-({acetyl[(oxolan-2-yl)methyl]amino}methyl)-2-methoxyphenyl 3,4-dichlorobenzene-1-sulfonate |
| Molecular Weight: | 488.39 |
| Molecular Formula: | C21 H23 Cl2 N O6 S |
| Smiles: | CC(N(CC1CCCO1)Cc1ccc(c(c1)OS(c1ccc(c(c1)[Cl])[Cl])(=O)=O)OC)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.2667 |
| logD: | 3.2667 |
| logSw: | -3.5203 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 69.05 |
| InChI Key: | ZWNGBTKAVNCDCH-MRXNPFEDSA-N |