ethyl N-benzyl-N-[2-(cyclohexylamino)-1-(6-nitro-2H-1,3-benzodioxol-5-yl)-2-oxoethyl]glycinate
Chemical Structure Depiction of
ethyl N-benzyl-N-[2-(cyclohexylamino)-1-(6-nitro-2H-1,3-benzodioxol-5-yl)-2-oxoethyl]glycinate
ethyl N-benzyl-N-[2-(cyclohexylamino)-1-(6-nitro-2H-1,3-benzodioxol-5-yl)-2-oxoethyl]glycinate
Compound characteristics
| Compound ID: | C094-2385 |
| Compound Name: | ethyl N-benzyl-N-[2-(cyclohexylamino)-1-(6-nitro-2H-1,3-benzodioxol-5-yl)-2-oxoethyl]glycinate |
| Molecular Weight: | 497.55 |
| Molecular Formula: | C26 H31 N3 O7 |
| Smiles: | CCOC(CN(Cc1ccccc1)C(C(NC1CCCCC1)=O)c1cc2c(cc1[N+]([O-])=O)OCO2)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.4137 |
| logD: | 4.413 |
| logSw: | -4.2693 |
| Hydrogen bond acceptors count: | 12 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 97.32 |
| InChI Key: | ISGFZQOFAMVVQA-RUZDIDTESA-N |