5-({ethyl-N-[(oxolan-2-yl)methyl]carbamamido}methyl)-2-methoxyphenyl 3,4-dichlorobenzene-1-sulfonate
Chemical Structure Depiction of
5-({ethyl-N-[(oxolan-2-yl)methyl]carbamamido}methyl)-2-methoxyphenyl 3,4-dichlorobenzene-1-sulfonate
5-({ethyl-N-[(oxolan-2-yl)methyl]carbamamido}methyl)-2-methoxyphenyl 3,4-dichlorobenzene-1-sulfonate
Compound characteristics
| Compound ID: | V003-3786 |
| Compound Name: | 5-({ethyl-N-[(oxolan-2-yl)methyl]carbamamido}methyl)-2-methoxyphenyl 3,4-dichlorobenzene-1-sulfonate |
| Molecular Weight: | 517.43 |
| Molecular Formula: | C22 H26 Cl2 N2 O6 S |
| Smiles: | CCNC(N(CC1CCCO1)Cc1ccc(c(c1)OS(c1ccc(c(c1)[Cl])[Cl])(=O)=O)OC)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.5783 |
| logD: | 3.5783 |
| logSw: | -3.8436 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 78.351 |
| InChI Key: | NPRXORMPRBTRBO-MRXNPFEDSA-N |